We propose a new stochastic primal-dual optimization algorithm for planning in a large discounted Markov decision process with a generative model and linear function approximation. Assuming that the feature map approximately satisfies standard realizability and Bellman-closedness conditions and also that the feature vectors of all state-action pairs are representable as convex combinations of a small core set of state-action pairs, we show that our method outputs a near-optimal policy after a polynomial number of queries to the generative model. Our method is computationally efficient and comes with the major advantage that it outputs a single softmax policy that is compactly represented by a low-dimensional parameter vector, and does not need to execute computationally expensive local planning subroutines in runtime.

Score-based generative models learn a family of noise-conditional score functions corresponding to the data density perturbed with increasingly large amounts of noise. These perturbed data densities are tied together by the Fokker-Planck equation (FPE), a partial differential equation (PDE) governing the spatial-temporal evolution of a density undergoing a diffusion process. In this work, we derive a corresponding equation, called the score FPE that characterizes the noise-conditional scores of the perturbed data densities (i.e., their gradients). Surprisingly, despite impressive empirical performance, we observe that scores learned via denoising score matching (DSM) do not satisfy the underlying score FPE. We prove that satisfying the FPE is desirable as it improves the likelihood and the degree of conservativity. Hence, we propose to regularize the DSM objective to enforce satisfaction of the score FPE, and we show the effectiveness of this approach across various datasets.

Most reinforcement learning algorithms take advantage of an experience replay buffer to repeatedly train on samples the agent has observed in the past. Not all samples carry the same amount of significance and simply assigning equal importance to each of the samples is a na\"ive strategy. In this paper, we propose a method to prioritize samples based on how much we can learn from a sample. We define the learn-ability of a sample as the steady decrease of the training loss associated with this sample over time. We develop an algorithm to prioritize samples with high learn-ability, while assigning lower priority to those that are hard-to-learn, typically caused by noise or stochasticity. We empirically show that our method is more robust than random sampling and also better than just prioritizing with respect to the training loss, i.e. the temporal difference loss, which is used in prioritized experience replay.

Though denoising diffusion probabilistic models (DDPMs) have achieved remarkable generation results, the low sampling efficiency of DDPMs still limits further applications. Since DDPMs can be formulated as diffusion ordinary differential equations (ODEs), various fast sampling methods can be derived from solving diffusion ODEs. However, we notice that previous sampling methods with fixed analytical form are not robust with the error in the noise estimated from pretrained diffusion models. In this work, we construct an error-robust Adams solver (ERA-Solver), which utilizes the implicit Adams numerical method that consists of a predictor and a corrector. Different from the traditional predictor based on explicit Adams methods, we leverage a Lagrange interpolation function as the predictor, which is further enhanced with an error-robust strategy to adaptively select the Lagrange bases with lower error in the estimated noise. Experiments on Cifar10, LSUN-Church, and LSUN-Bedroom datasets demonstrate that our proposed ERA-Solver achieves 5.14, 9.42, and 9.69 Fenchel Inception Distance (FID) for image generation, with only 10 network evaluations.

Recently, RNN-Transducers have achieved remarkable results on various automatic speech recognition tasks. However, lattice-free sequence discriminative training methods, which obtain superior performance in hybrid modes, are rarely investigated in RNN-Transducers. In this work, we propose three lattice-free training objectives, namely lattice-free maximum mutual information, lattice-free segment-level minimum Bayes risk, and lattice-free minimum Bayes risk, which are used for the final posterior output of the phoneme-based neural transducer with a limited context dependency. Compared to criteria using N-best lists, lattice-free methods eliminate the decoding step for hypotheses generation during training, which leads to more efficient training. Experimental results show that lattice-free methods gain up to 6.5% relative improvement in word error rate compared to a sequence-level cross-entropy trained model. Compared to the N-best-list based minimum Bayes risk objectives, lattice-free methods gain 40% - 70% relative training time speedup with a small degradation in performance.

With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery broadly. We present the Generative Toolkit for Scientific Discovery (GT4SD). This extensible open-source library enables scientists, developers, and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on material design.

Learning to reject (L2R) and out-of-distribution (OOD) detection are two classical problems, each of which involve detecting certain abnormal samples: in L2R, the goal is to detect "hard" samples on which to abstain, while in OOD detection, the goal is to detect "outlier" samples not drawn from the training distribution. Intriguingly, despite being developed in parallel literatures, both problems share a simple baseline: the maximum softmax probability (MSP) score. However, there is limited understanding of precisely how these problems relate. In this paper, we formally relate these problems, and show how they may be jointly solved. We first show that while MSP is theoretically optimal for L2R, it can be theoretically sub-optimal for OOD detection in some important practical settings. We then characterize the Bayes-optimal classifier for a unified formulation that generalizes both L2R and OOD detection. Based on this, we design a plug-in approach for learning to abstain on both inlier and OOD samples, while constraining the total abstention budget. Experiments on benchmark OOD datasets demonstrate that our approach yields competitive classification and OOD detection performance compared to baselines from both literatures.

Continuous pseudo-labeling (PL) algorithms such as slimIPL have recently emerged as a powerful strategy for semi-supervised learning in speech recognition. In contrast with earlier strategies that alternated between training a model and generating pseudo-labels (PLs) with it, here PLs are generated in end-to-end manner as training proceeds, improving training speed and the accuracy of the final model. PL shares a common theme with teacher-student models such as distillation in that a teacher model generates targets that need to be mimicked by the student model being trained. However, interestingly, PL strategies in general use hard-labels, whereas distillation uses the distribution over labels as the target to mimic. Inspired by distillation we expect that specifying the whole distribution (aka soft-labels) over sequences as the target for unlabeled data, instead of a single best pass pseudo-labeled transcript (hard-labels) should improve PL performance and convergence. Surprisingly and unexpectedly, we find that soft-labels targets can lead to training divergence, with the model collapsing to a degenerate token distribution per frame. We hypothesize that the reason this does not happen with hard-labels is that training loss on hard-labels imposes sequence-level consistency that keeps the model from collapsing to the degenerate solution. In this paper, we show several experiments that support this hypothesis, and experiment with several regularization approaches that can ameliorate the degenerate collapse when using soft-labels. These approaches can bring the accuracy of soft-labels closer to that of hard-labels, and while they are unable to outperform them yet, they serve as a useful framework for further improvements.

In graph learning, maps between graphs and their subgraphs frequently arise. For instance, when coarsening or rewiring operations are present along the pipeline, one needs to keep track of the corresponding nodes between the original and modified graphs. Classically, these maps are represented as binary node-to-node correspondence matrices and used as-is to transfer node-wise features between the graphs. In this paper, we argue that simply changing this map representation can bring notable benefits to graph learning tasks. Drawing inspiration from recent progress in geometry processing, we introduce a spectral representation for maps that is easy to integrate into existing graph learning models. This spectral representation is a compact and straightforward plug-in replacement and is robust to topological changes of the graphs. Remarkably, the representation exhibits structural properties that make it interpretable, drawing an analogy with recent results on smooth manifolds. We demonstrate the benefits of incorporating spectral maps in graph learning pipelines, addressing scenarios where a node-to-node map is not well defined, or in the absence of exact isomorphism. Our approach bears practical benefits in knowledge distillation and hierarchical learning, where we show comparable or improved performance at a fraction of the computational cost.

Batch reinforcement learning (RL) aims at finding an optimal policy in a dynamic environment in order to maximize the expected total rewards by leveraging pre-collected data. A fundamental challenge behind this task is the distributional mismatch between the batch data generating process and the distribution induced by target policies. Nearly all existing algorithms rely on the absolutely continuous assumption on the distribution induced by target policies with respect to the data distribution so that the batch data can be used to calibrate target policies via the change of measure. However, the absolute continuity assumption could be violated in practice, especially when the state-action space is large or continuous. In this paper, we propose a new batch RL algorithm without requiring absolute continuity in the setting of an infinite-horizon Markov decision process with continuous states and actions. We call our algorithm STEEL: SingulariTy-awarE rEinforcement Learning. Our algorithm is motivated by a new error analysis on off-policy evaluation, where we use maximum mean discrepancy, together with distributionally robust optimization, to characterize the error of off-policy evaluation caused by the possible singularity and to enable the power of model extrapolation. By leveraging the idea of pessimism and under some mild conditions, we derive a finite-sample regret guarantee for our proposed algorithm without imposing absolute continuity. Compared with existing algorithms, STEEL only requires some minimal data-coverage assumption and thus greatly enhances the applicability and robustness of batch RL. Extensive simulation studies and one real experiment on personalized pricing demonstrate the superior performance of our method when facing possible singularity in batch RL.

Two-sample testing tests whether the distributions generating two samples are identical. We pose the two-sample testing problem in a new scenario where the sample measurements (or sample features) are inexpensive to access, but their group memberships (or labels) are costly. We devise the first \emph{active sequential two-sample testing framework} that not only sequentially but also \emph{actively queries} sample labels to address the problem. Our test statistic is a likelihood ratio where one likelihood is found by maximization over all class priors, and the other is given by a classification model. The classification model is adaptively updated and then used to guide an active query scheme called bimodal query to label sample features in the regions with high dependency between the feature variables and the label variables. The theoretical contributions in the paper include proof that our framework produces an \emph{anytime-valid} $p$-value; and, under reachable conditions and a mild assumption, the framework asymptotically generates a minimum normalized log-likelihood ratio statistic that a passive query scheme can only achieve when the feature variable and the label variable have the highest dependence. Lastly, we provide a \emph{query-switching (QS)} algorithm to decide when to switch from passive query to active query and adapt bimodal query to increase the testing power of our test. Extensive experiments justify our theoretical contributions and the effectiveness of QS.

Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such as images. Yet, we lack a quantitative understanding of how such structure affects performance, e.g. the rate of decay of the generalisation error with the number of training samples. In this paper, we study deep CNNs in the kernel regime. First, we show that the spectrum of the corresponding kernel inherits the hierarchical structure of the network, and we characterise its asymptotics. Then, we use this result together with generalisation bounds to prove that deep CNNs adapt to the spatial scale of the target function. In particular, we find that if the target function depends on low-dimensional subsets of adjacent input variables, then the rate of decay of the error is controlled by the effective dimensionality of these subsets. Conversely, if the target function depends on the full set of input variables, then the error rate is inversely proportional to the input dimension. We conclude by computing the rate when a deep CNN is trained on the output of another deep CNN with randomly-initialised parameters. Interestingly, we find that, despite their hierarchical structure, the functions generated by deep CNNs are too rich to be efficiently learnable in high dimension.

Consider the problem of estimating the causal effect of some attribute of a text document; for example: what effect does writing a polite vs. rude email have on response time? To estimate a causal effect from observational data, we need to adjust for confounding aspects of the text that affect both the treatment and outcome -- e.g., the topic or writing level of the text. These confounding aspects are unknown a priori, so it seems natural to adjust for the entirety of the text (e.g., using a transformer). However, causal identification and estimation procedures rely on the assumption of overlap: for all levels of the adjustment variables, there is randomness leftover so that every unit could have (not) received treatment. Since the treatment here is itself an attribute of the text, it is perfectly determined, and overlap is apparently violated. The purpose of this paper is to show how to handle causal identification and obtain robust causal estimation in the presence of apparent overlap violations. In brief, the idea is to use supervised representation learning to produce a data representation that preserves confounding information while eliminating information that is only predictive of the treatment. This representation then suffices for adjustment and can satisfy overlap. Adapting results on non-parametric estimation, we find that this procedure is robust to conditional outcome misestimation, yielding a low-bias estimator with valid uncertainty quantification under weak conditions. Empirical results show strong improvements in bias and uncertainty quantification relative to the natural baseline.

Vision Transformer (ViT) has recently gained significant interest in solving computer vision (CV) problems due to its capability of extracting informative features and modeling long-range dependencies through the self-attention mechanism. To fully realize the advantages of ViT in real-world applications, recent works have explored the trustworthiness of ViT, including its robustness and explainability. However, another desiderata, fairness has not yet been adequately addressed in the literature. We establish that the existing fairness-aware algorithms (primarily designed for CNNs) do not perform well on ViT. This necessitates the need for developing our novel framework via Debiased Self-Attention (DSA). DSA is a fairness-through-blindness approach that enforces ViT to eliminate spurious features correlated with the sensitive attributes for bias mitigation. Notably, adversarial examples are leveraged to locate and mask the spurious features in the input image patches. In addition, DSA utilizes an attention weights alignment regularizer in the training objective to encourage learning informative features for target prediction. Importantly, our DSA framework leads to improved fairness guarantees over prior works on multiple prediction tasks without compromising target prediction performance

We investigate unbiased high-dimensional mean estimators in differential privacy. We consider differentially private mechanisms whose expected output equals the mean of the input dataset, for every dataset drawn from a fixed convex domain $K$ in $\mathbb{R}^d$. In the setting of concentrated differential privacy, we show that, for every input such an unbiased mean estimator introduces approximately at least as much error as a mechanism that adds Gaussian noise with a carefully chosen covariance. This is true when the error is measured with respect to $\ell_p$ error for any $p \ge 2$. We extend this result to local differential privacy, and to approximate differential privacy, but for the latter the error lower bound holds either for a dataset or for a neighboring dataset. We also extend our results to mechanisms that take i.i.d.~samples from a distribution over $K$ and are unbiased with respect to the mean of the distribution.

Vertical federated learning (VFL) allows an active party with labeled feature to leverage auxiliary features from the passive parties to improve model performance. Concerns about the private feature and label leakage in both the training and inference phases of VFL have drawn wide research attention. In this paper, we propose a general privacy-preserving vertical federated deep learning framework called FedPass, which leverages adaptive obfuscation to protect the feature and label simultaneously. Strong privacy-preserving capabilities about private features and labels are theoretically proved (in Theorems 1 and 2). Extensive experimental result s with different datasets and network architectures also justify the superiority of FedPass against existing methods in light of its near-optimal trade-off between privacy and model performance.

Personalization and decentralization are two major lines of studies to realize practical federated learning in the real world. The aim of this study is to establish a general and unified approach that can solve these two problems simultaneously. In this work, we first propose a bilevel problem that can adapt to various personalization scenarios by allowing an arbitrary choice of two parameters: a client-wise outer-parameter representing heterogeneity, and a shared inner-parameter representing homogeneity across client data distributions. We then present an algorithm that can solve this bilevel problem in a decentralized manner by estimating gradients of clients' outer-costs with respect to their outer-parameters. We show that the proposed algorithm can be extended to handle a random directed network, which is one of the most robust decentralized communication classes. The proposed method achieves state-of-the-art performance on a personalization benchmark across various communication settings.

Deep Q-learning based algorithms have been applied successfully in many decision making problems, while their theoretical foundations are not as well understood. In this paper, we study a Fitted Q-Iteration with two-layer ReLU neural network parameterization, and find the sample complexity guarantees for the algorithm. Our approach estimates the Q-function in each iteration using a convex optimization problem. We show that this approach achieves a sample complexity of $\tilde{\mathcal{O}}(1/\epsilon^{2})$, which is order-optimal. This result holds for a countable state-spaces and does not require any assumptions such as a linear or low rank structure on the MDP.

ChatGPT has the ability to generate grammatically flawless and seemingly-human replies to different types of questions from various domains. The number of its users and of its applications is growing at an unprecedented rate. Unfortunately, use and abuse come hand in hand. In this paper, we study whether a machine learning model can be effectively trained to accurately distinguish between original human and seemingly human (that is, ChatGPT-generated) text, especially when this text is short. Furthermore, we employ an explainable artificial intelligence framework to gain insight into the reasoning behind the model trained to differentiate between ChatGPT-generated and human-generated text. The goal is to analyze model's decisions and determine if any specific patterns or characteristics can be identified. Our study focuses on short online reviews, conducting two experiments comparing human-generated and ChatGPT-generated text. The first experiment involves ChatGPT text generated from custom queries, while the second experiment involves text generated by rephrasing original human-generated reviews. We fine-tune a Transformer-based model and use it to make predictions, which are then explained using SHAP. We compare our model with a perplexity score-based approach and find that disambiguation between human and ChatGPT-generated reviews is more challenging for the ML model when using rephrased text. However, our proposed approach still achieves an accuracy of 79%. Using explainability, we observe that ChatGPT's writing is polite, without specific details, using fancy and atypical vocabulary, impersonal, and typically it does not express feelings.

Does the dominant approach to learn representations (as a side effect of optimizing an expected cost for a single training distribution) remain a good approach when we are dealing with multiple distributions? Our thesis is that such scenarios are better served by representations that are richer than those obtained with a single optimization episode. We support this thesis with simple theoretical arguments and with experiments utilizing an apparently na\"{\i}ve ensembling technique: concatenating the representations obtained from multiple training episodes using the same data, model, algorithm, and hyper-parameters, but different random seeds. These independently trained networks perform similarly. Yet, in a number of scenarios involving new distributions, the concatenated representation performs substantially better than an equivalently sized network trained with a single training run. This proves that the representations constructed by multiple training episodes are in fact different. Although their concatenation carries little additional information about the training task under the training distribution, it becomes substantially more informative when tasks or distributions change. Meanwhile, a single training episode is unlikely to yield such a redundant representation because the optimization process has no reason to accumulate features that do not incrementally improve the training performance.

Concept shift is a prevailing problem in natural tasks like medical image segmentation where samples usually come from different subpopulations with variant correlations between features and labels. One common type of concept shift in medical image segmentation is the "information imbalance" between label-sparse samples with few (if any) segmentation labels and label-dense samples with plentiful labeled pixels. Existing distributionally robust algorithms have focused on adaptively truncating/down-weighting the "less informative" (i.e., label-sparse in our context) samples. To exploit data features of label-sparse samples more efficiently, we propose an adaptively weighted online optimization algorithm -- AdaWAC -- to incorporate data augmentation consistency regularization in sample reweighting. Our method introduces a set of trainable weights to balance the supervised loss and unsupervised consistency regularization of each sample separately. At the saddle point of the underlying objective, the weights assign label-dense samples to the supervised loss and label-sparse samples to the unsupervised consistency regularization. We provide a convergence guarantee by recasting the optimization as online mirror descent on a saddle point problem. Our empirical results demonstrate that AdaWAC not only enhances the segmentation performance and sample efficiency but also improves the robustness to concept shift on various medical image segmentation tasks with different UNet-style backbones.

We introduce an unsupervised learning approach that combines the truncated singular value decomposition with convex clustering to estimate within-cluster directions of maximum variance/covariance (in the variables) while simultaneously hierarchically clustering (on observations). In contrast to previous work on joint clustering and embedding, our approach has a straightforward formulation, is readily scalable via distributed optimization, and admits a direct interpretation as hierarchically clustered principal component analysis (PCA), hierarchically clustered locally linear embedding (LLE), or hierarchically clustered canonical correlation analysis (CCA). Through numerical experiments and real-world examples relevant to precision medicine, we show that our approach outperforms traditional and contemporary clustering methods on both underdetermined problems ($p \gg N$ with tens of observations) and on large datasets (e.g., $N=100,000$) while yielding interpretable dendrograms of hierarchical per-cluster principal components or canonical variates.

Evaluating fairness can be challenging in practice because the sensitive attributes of data are often inaccessible due to privacy constraints. The go-to approach that the industry frequently adopts is using off-the-shelf proxy models to predict the missing sensitive attributes, e.g. Meta [Alao et al., 2021] and Twitter [Belli et al., 2022]. Despite its popularity, there are three important questions unanswered: (1) Is directly using proxies efficacious in measuring fairness? (2) If not, is it possible to accurately evaluate fairness using proxies only? (3) Given the ethical controversy over inferring user private information, is it possible to only use weak (i.e. inaccurate) proxies in order to protect privacy? Our theoretical analyses show that directly using proxy models can give a false sense of (un)fairness. Second, we develop an algorithm that is able to measure fairness (provably) accurately with only three properly identified proxies. Third, we show that our algorithm allows the use of only weak proxies (e.g. with only 68.85%accuracy on COMPAS), adding an extra layer of protection on user privacy. Experiments validate our theoretical analyses and show our algorithm can effectively measure and mitigate bias. Our results imply a set of practical guidelines for practitioners on how to use proxies properly. Code is available at github.com/UCSC-REAL/fair-eval.

Designing profitable and reliable trading strategies is challenging in the highly volatile cryptocurrency market. Existing works applied deep reinforcement learning methods and optimistically reported increased profits in backtesting, which may suffer from the false positive issue due to overfitting. In this paper, we propose a practical approach to address backtest overfitting for cryptocurrency trading using deep reinforcement learning. First, we formulate the detection of backtest overfitting as a hypothesis test. Then, we train the DRL agents, estimate the probability of overfitting, and reject the overfitted agents, increasing the chance of good trading performance. Finally, on 10 cryptocurrencies over a testing period from 05/01/2022 to 06/27/2022 (during which the crypto market crashed two times), we show that the less overfitted deep reinforcement learning agents have a higher return than that of more overfitted agents, an equal weight strategy, and the S&P DBM Index (market benchmark), offering confidence in possible deployment to a real market.

There are many frameworks for deep generative modeling, each often presented with their own specific training algorithms and inference methods. Here, we demonstrate the connections between existing deep generative models and the recently introduced GFlowNet framework, a probabilistic inference machine which treats sampling as a decision-making process. This analysis sheds light on their overlapping traits and provides a unifying viewpoint through the lens of learning with Markovian trajectories. Our framework provides a means for unifying training and inference algorithms, and provides a route to shine a unifying light over many generative models. Beyond this, we provide a practical and experimentally verified recipe for improving generative modeling with insights from the GFlowNet perspective.

In this paper we present a novel method, $\textit{Knowledge Persistence}$ ($\mathcal{KP}$), for faster evaluation of Knowledge Graph (KG) completion approaches. Current ranking-based evaluation is quadratic in the size of the KG, leading to long evaluation times and consequently a high carbon footprint. $\mathcal{KP}$ addresses this by representing the topology of the KG completion methods through the lens of topological data analysis, concretely using persistent homology. The characteristics of persistent homology allow $\mathcal{KP}$ to evaluate the quality of the KG completion looking only at a fraction of the data. Experimental results on standard datasets show that the proposed metric is highly correlated with ranking metrics (Hits@N, MR, MRR). Performance evaluation shows that $\mathcal{KP}$ is computationally efficient: In some cases, the evaluation time (validation+test) of a KG completion method has been reduced from 18 hours (using Hits@10) to 27 seconds (using $\mathcal{KP}$), and on average (across methods & data) reduces the evaluation time (validation+test) by $\approx$ $\textbf{99.96}\%$.

Despite the great promise that machine learning has offered in many fields of medicine, it has also raised concerns about potential biases and poor generalization across genders, age distributions, races and ethnicities, hospitals, and data acquisition equipment and protocols. In the current study, and in the context of three brain diseases, we provide evidence which suggests that when properly trained, machine learning models can generalize well across diverse conditions and do not necessarily suffer from bias. Specifically, by using multi-study magnetic resonance imaging consortia for diagnosing Alzheimer's disease, schizophrenia, and autism spectrum disorder, we find that well-trained models have a high area-under-the-curve (AUC) on subjects across different subgroups pertaining to attributes such as gender, age, racial groups, and different clinical studies and are unbiased under multiple fairness metrics such as demographic parity difference, equalized odds difference, equal opportunity difference etc. We find that models that incorporate multi-source data from demographic, clinical, genetic factors and cognitive scores are also unbiased. These models have better predictive AUC across subgroups than those trained only with imaging features but there are also situations when these additional features do not help.

Hyperparameter tuning is a common practice in the application of machine learning but is a typically ignored aspect in the literature on privacy-preserving machine learning due to its negative effect on the overall privacy parameter. In this paper, we aim to tackle this fundamental yet challenging problem by providing an effective hyperparameter tuning framework with differential privacy. The proposed method allows us to adopt a broader hyperparameter search space and even to perform a grid search over the whole space, since its privacy loss parameter is independent of the number of hyperparameter candidates. Interestingly, it instead correlates with the utility gained from hyperparameter searching, revealing an explicit and mandatory trade-off between privacy and utility. Theoretically, we show that its additional privacy loss bound incurred by hyperparameter tuning is upper-bounded by the squared root of the gained utility. However, we note that the additional privacy loss bound would empirically scale like a squared root of the logarithm of the utility term, benefiting from the design of doubling step.

This work revisits the joint beamforming (BF) and antenna selection (AS) problem, as well as its robust beamforming (RBF) version under imperfect channel state information (CSI). Such problems arise due to various reasons, e.g., the costly nature of the radio frequency (RF) chains and energy/resource-saving considerations. The joint (R)BF\&AS problem is a mixed integer and nonlinear program, and thus finding {\it optimal solutions} is often costly, if not outright impossible. The vast majority of the prior works tackled these problems using techniques such as continuous approximations, greedy methods, and supervised machine learning -- yet these approaches do not ensure optimality or even feasibility of the solutions. The main contribution of this work is threefold. First, an effective {\it branch and bound} (B\&B) framework for solving the problems of interest is proposed. Leveraging existing BF and RBF solvers, it is shown that the B\&B framework guarantees global optimality of the considered problems. Second, to expedite the potentially costly B\&B algorithm, a machine learning (ML)-based scheme is proposed to help skip intermediate states of the B\&B search tree. The learning model features a {\it graph neural network} (GNN)-based design that is resilient to a commonly encountered challenge in wireless communications, namely, the change of problem size (e.g., the number of users) across the training and test stages. Third, comprehensive performance characterizations are presented, showing that the GNN-based method retains the global optimality of B\&B with provably reduced complexity, under reasonable conditions. Numerical simulations also show that the ML-based acceleration can often achieve an order-of-magnitude speedup relative to B\&B.

To date, no "information-theoretic" frameworks for reasoning about generalization error have been shown to establish minimax rates for gradient descent in the setting of stochastic convex optimization. In this work, we consider the prospect of establishing such rates via several existing information-theoretic frameworks: input-output mutual information bounds, conditional mutual information bounds and variants, PAC-Bayes bounds, and recent conditional variants thereof. We prove that none of these bounds are able to establish minimax rates. We then consider a common tactic employed in studying gradient methods, whereby the final iterate is corrupted by Gaussian noise, producing a noisy "surrogate" algorithm. We prove that minimax rates cannot be established via the analysis of such surrogates. Our results suggest that new ideas are required to analyze gradient descent using information-theoretic techniques.

We initiate a study of supervised learning from many independent sequences ("trajectories") of non-independent covariates, reflecting tasks in sequence modeling, control, and reinforcement learning. Conceptually, our multi-trajectory setup sits between two traditional settings in statistical learning theory: learning from independent examples and learning from a single auto-correlated sequence. Our conditions for efficient learning generalize the former setting--trajectories must be non-degenerate in ways that extend standard requirements for independent examples. Notably, we do not require that trajectories be ergodic, long, nor strictly stable. For linear least-squares regression, given $n$-dimensional examples produced by $m$ trajectories, each of length $T$, we observe a notable change in statistical efficiency as the number of trajectories increases from a few (namely $m \lesssim n$) to many (namely $m \gtrsim n$). Specifically, we establish that the worst-case error rate of this problem is $\Theta(n / m T)$ whenever $m \gtrsim n$. Meanwhile, when $m \lesssim n$, we establish a (sharp) lower bound of $\Omega(n^2 / m^2 T)$ on the worst-case error rate, realized by a simple, marginally unstable linear dynamical system. A key upshot is that, in domains where trajectories regularly reset, the error rate eventually behaves as if all of the examples were independent, drawn from their marginals. As a corollary of our analysis, we also improve guarantees for the linear system identification problem.

We propose a framework for decision-making in the presence of strategic agents with panel data, a standard setting in econometrics and statistics where one gets noisy, repeated measurements of multiple units. We consider a setup where there is a pre-intervention period, when the principal observes the outcomes of each unit, after which the principal uses these observations to assign a treatment to each unit. Our model can be thought of as a generalization of the synthetic controls and synthetic interventions frameworks, where units (or agents) may strategically manipulate pre-intervention outcomes to receive a more desirable intervention. We identify necessary and sufficient conditions under which a strategyproof mechanism that assigns interventions in the post-intervention period exists. Under a latent factor model assumption, we show that whenever a strategyproof mechanism exists, there is one with a simple closed form. In the setting where there is a single treatment and control (i.e., no other interventions), we establish that there is always a strategyproof mechanism, and provide an algorithm for learning such a mechanism. For the setting of multiple interventions, we provide an algorithm for learning a strategyproof mechanism, if there exists a sufficiently large gap in rewards between the different interventions. Finally, we empirically evaluate our model using real-world panel data collected from product sales over 18 months. We find that our methods compare favorably to baselines which do not take strategic interactions into consideration -- even in the presence of model misspecification. Along the way, we prove impossibility results for multi-class strategic classification, which may be of independent interest.

Reinforcement learning (RL) is recognized as lacking generalization and robustness under environmental perturbations, which excessively restricts its application for real-world robotics. Prior work claimed that adding regularization to the value function is equivalent to learning a robust policy with uncertain transitions. Although the regularization-robustness transformation is appealing for its simplicity and efficiency, it is still lacking in continuous control tasks. In this paper, we propose a new regularizer named $\textbf{U}$ncertainty $\textbf{S}$et $\textbf{R}$egularizer (USR), by formulating the uncertainty set on the parameter space of the transition function. In particular, USR is flexible enough to be plugged into any existing RL framework. To deal with unknown uncertainty sets, we further propose a novel adversarial approach to generate them based on the value function. We evaluate USR on the Real-world Reinforcement Learning (RWRL) benchmark, demonstrating improvements in the robust performance for perturbed testing environments.

We introduce a meta-learning algorithm for adversarially robust classification. The proposed method tries to be as model agnostic as possible and optimizes a dataset prior to its deployment in a machine learning system, aiming to effectively erase its non-robust features. Once the dataset has been created, in principle no specialized algorithm (besides standard gradient descent) is needed to train a robust model. We formulate the data optimization procedure as a bi-level optimization problem on kernel regression, with a class of kernels that describe infinitely wide neural nets (Neural Tangent Kernels). We present extensive experiments on standard computer vision benchmarks using a variety of different models, demonstrating the effectiveness of our method, while also pointing out its current shortcomings. In parallel, we revisit prior work that also focused on the problem of data optimization for robust classification \citep{Ily+19}, and show that being robust to adversarial attacks after standard (gradient descent) training on a suitable dataset is more challenging than previously thought.

We introduce meta-learning algorithms that perform zero-shot weight-space adaptation of neural network models to unseen tasks. Our methods repurpose the popular generative image synthesis techniques of natural language guidance and diffusion models to generate neural network weights adapted for tasks. We first train an unconditional generative hypernetwork model to produce neural network weights; then we train a second "guidance" model that, given a natural language task description, traverses the hypernetwork latent space to find high-performance task-adapted weights in a zero-shot manner. We explore two alternative approaches for latent space guidance: "HyperCLIP"-based classifier guidance and a conditional Hypernetwork Latent Diffusion Model ("HyperLDM"), which we show to benefit from the classifier-free guidance technique common in image generation. Finally, we demonstrate that our approaches outperform existing multi-task and meta-learning methods in a series of zero-shot learning experiments on our Meta-VQA dataset.

The impressive performances of deep learning architectures is associated to massive increase of models complexity. Millions of parameters need be tuned, with training and inference time scaling accordingly. But is massive fine-tuning necessary? In this paper, focusing on image classification, we consider a simple transfer learning approach exploiting pretrained convolutional features as input for a fast kernel method. We refer to this approach as top-tuning, since only the kernel classifier is trained. By performing more than 2500 training processes we show that this top-tuning approach provides comparable accuracy w.r.t. fine-tuning, with a training time that is between one and two orders of magnitude smaller. These results suggest that top-tuning provides a useful alternative to fine-tuning in small/medium datasets, especially when training efficiency is crucial.

Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of this work has yet to be widely disseminated in social science domains such as psychology. Current state of the art models require considerable domain expertise that is not traditionally incorporated into social science training programs. Furthermore, there is a notable absence of user-friendly and open-source software that provides a comprehensive set of tools and functions that support facial expression research. In this paper, we introduce Py-Feat, an open-source Python toolbox that provides support for detecting, preprocessing, analyzing, and visualizing facial expression data. Py-Feat makes it easy for domain experts to disseminate and benchmark computer vision models and also for end users to quickly process, analyze, and visualize face expression data. We hope this platform will facilitate increased use of facial expression data in human behavior research.

An informative measurement is the most efficient way to gain information about an unknown state. We present a first-principles derivation of a general-purpose dynamic programming algorithm that returns an optimal sequence of informative measurements by sequentially maximizing the entropy of possible measurement outcomes. This algorithm can be used by an autonomous agent or robot to decide where best to measure next, planning a path corresponding to an optimal sequence of informative measurements. The algorithm is applicable to states and controls that are either continuous or discrete, and agent dynamics that is either stochastic or deterministic; including Markov decision processes and Gaussian processes. Recent results from the fields of approximate dynamic programming and reinforcement learning, including on-line approximations such as rollout and Monte Carlo tree search, allow the measurement task to be solved in real time. The resulting solutions include non-myopic paths and measurement sequences that can generally outperform, sometimes substantially, commonly used greedy approaches. This is demonstrated for a global search task, where on-line planning for a sequence of local searches is found to reduce the number of measurements in the search by approximately half. A variant of the algorithm is derived for Gaussian processes for active sensing.

Adversarial extraction attacks constitute an insidious threat against Deep Learning (DL) models in-which an adversary aims to steal the architecture, parameters, and hyper-parameters of a targeted DL model. Existing extraction attack literature have observed varying levels of attack success for different DL models and datasets, yet the underlying cause(s) behind their susceptibility often remain unclear, and would help facilitate creating secure DL systems. In this paper we present PINCH: an efficient and automated extraction attack framework capable of designing, deploying, and analyzing extraction attack scenarios across heterogeneous hardware platforms. Using PINCH, we perform extensive experimental evaluation of extraction attacks against 21 model architectures to explore new extraction attack scenarios and further attack staging. Our findings show (1) key extraction characteristics whereby particular model configurations exhibit strong resilience against specific attacks, (2) even partial extraction success enables further staging for other adversarial attacks, and (3) equivalent stolen models uncover differences in expressive power, yet exhibit similar captured knowledge.

Large language models (LLMs) have shown promise for automatic summarization but the reasons behind their successes are poorly understood. By conducting a human evaluation on ten LLMs across different pretraining methods, prompts, and model scales, we make two important observations. First, we find instruction tuning, and not model size, is the key to the LLM's zero-shot summarization capability. Second, existing studies have been limited by low-quality references, leading to underestimates of human performance and lower few-shot and finetuning performance. To better evaluate LLMs, we perform human evaluation over high-quality summaries we collect from freelance writers. Despite major stylistic differences such as the amount of paraphrasing, we find that LMM summaries are judged to be on par with human written summaries.

Variational quantum algorithms represent a promising approach to quantum machine learning where classical neural networks are replaced by parametrized quantum circuits. Here, we present a variational approach to quantize projective simulation (PS), a reinforcement learning model aimed at interpretable artificial intelligence. Decision making in PS is modeled as a random walk on a graph describing the agent's memory. To implement the quantized model, we consider quantum walks of single photons in a lattice of tunable Mach-Zehnder interferometers. We propose variational algorithms tailored to reinforcement learning tasks, and we show, using an example from transfer learning, that the quantized PS learning model can outperform its classical counterpart. Finally, we discuss the role of quantum interference for training and decision making, paving the way for realizations of interpretable quantum learning agents.

The adversarial vulnerability of neural nets, and subsequent techniques to create robust models have attracted significant attention; yet we still lack a full understanding of this phenomenon. Here, we study adversarial examples of trained neural networks through analytical tools afforded by recent theory advances connecting neural networks and kernel methods, namely the Neural Tangent Kernel (NTK), following a growing body of work that leverages the NTK approximation to successfully analyze important deep learning phenomena and design algorithms for new applications. We show how NTKs allow to generate adversarial examples in a ``training-free'' fashion, and demonstrate that they transfer to fool their finite-width neural net counterparts in the ``lazy'' regime. We leverage this connection to provide an alternative view on robust and non-robust features, which have been suggested to underlie the adversarial brittleness of neural nets. Specifically, we define and study features induced by the eigendecomposition of the kernel to better understand the role of robust and non-robust features, the reliance on both for standard classification and the robustness-accuracy trade-off. We find that such features are surprisingly consistent across architectures, and that robust features tend to correspond to the largest eigenvalues of the model, and thus are learned early during training. Our framework allows us to identify and visualize non-robust yet useful features. Finally, we shed light on the robustness mechanism underlying adversarial training of neural nets used in practice: quantifying the evolution of the associated empirical NTK, we demonstrate that its dynamics falls much earlier into the ``lazy'' regime and manifests a much stronger form of the well known bias to prioritize learning features within the top eigenspaces of the kernel, compared to standard training.

The last decade witnessed a growing interest in Bayesian learning. Yet, the technicality of the topic and the multitude of ingredients involved therein, besides the complexity of turning theory into practical implementations, limit the use of the Bayesian learning paradigm, preventing its widespread adoption across different fields and applications. This self-contained survey engages and introduces readers to the principles and algorithms of Bayesian Learning for Neural Networks. It provides an introduction to the topic from an accessible, practical-algorithmic perspective. Upon providing a general introduction to Bayesian Neural Networks, we discuss and present both standard and recent approaches for Bayesian inference, with an emphasis on solutions relying on Variational Inference and the use of Natural gradients. We also discuss the use of manifold optimization as a state-of-the-art approach to Bayesian learning. We examine the characteristic properties of all the discussed methods, and provide pseudo-codes for their implementation, paying attention to practical aspects, such as the computation of the gradients.

Cutting planes are a crucial component of state-of-the-art mixed-integer programming solvers, with the choice of which subset of cuts to add being vital for solver performance. We propose new distance-based measures to qualify the value of a cut by quantifying the extent to which it separates relevant parts of the relaxed feasible set. For this purpose, we use the analytic centers of the relaxation polytope or of its optimal face, as well as alternative optimal solutions of the linear programming relaxation. We assess the impact of the choice of distance measure on root node performance and throughout the whole branch-and-bound tree, comparing our measures against those prevalent in the literature. Finally, by a multi-output regression, we predict the relative performance of each measure, using static features readily available before the separation process. Our results indicate that analytic center-based methods help to significantly reduce the number of branch-and-bound nodes needed to explore the search space and that our multiregression approach can further improve on any individual method.

We study the problem of out-of-distribution (o.o.d.) generalization where spurious correlations of attributes vary across training and test domains. This is known as the problem of correlation shift and has posed concerns on the reliability of machine learning. In this work, we introduce the concepts of direct and indirect effects from causal inference to the domain generalization problem. We argue that models that learn direct effects minimize the worst-case risk across correlation-shifted domains. To eliminate the indirect effects, our algorithm consists of two stages: in the first stage, we learn an indirect-effect representation by minimizing the prediction error of domain labels using the representation and the class label; in the second stage, we remove the indirect effects learned in the first stage by matching each data with another data of similar indirect-effect representation but of different class label. We also propose a new model selection method by matching the validation set in the same way, which is shown to improve the generalization performance of existing models on correlation-shifted datasets. Experiments on 5 correlation-shifted datasets and the DomainBed benchmark verify the effectiveness of our approach.

Diffusion models have achieved state-of-the-art synthesis quality on both visual and audio tasks, and recent works further adapt them to textual data by diffusing on the embedding space. In this paper, we conduct systematic studies and analyze the challenges between the continuous data space and the embedding space which have not been carefully explored. Firstly, the data distribution is learnable for embeddings, which may lead to the collapse of the loss function. Secondly, as the norm of embeddings varies between popular and rare words, adding the same noise scale will lead to sub-optimal results. In addition, we find the normal level of noise causes insufficient training of the model. To address the above challenges, we propose Difformer, an embedding diffusion model based on Transformer, which consists of three essential modules including an additional anchor loss function, a layer normalization module for embeddings, and a noise factor to the Gaussian noise. Experiments on two seminal text generation tasks including machine translation and text summarization show the superiority of Difformer over compared embedding diffusion baselines.

Efficient Transformers have been developed for long sequence modeling, due to their subquadratic memory and time complexity. Sparse Transformer is a popular approach to improving the efficiency of Transformers by restricting self-attention to locations specified by the predefined sparse patterns. However, leveraging sparsity may sacrifice expressiveness compared to full-attention, when important token correlations are multiple hops away. To combine advantages of both the efficiency of sparse transformer and the expressiveness of full-attention Transformer, we propose \textit{Diffuser}, a new state-of-the-art efficient Transformer. Diffuser incorporates all token interactions within one attention layer while maintaining low computation and memory costs. The key idea is to expand the receptive field of sparse attention using Attention Diffusion, which computes multi-hop token correlations based on all paths between corresponding disconnected tokens, besides attention among neighboring tokens. Theoretically, we show the expressiveness of Diffuser as a universal sequence approximator for sequence-to-sequence modeling, and investigate its ability to approximate full-attention by analyzing the graph expander property from the spectral perspective. Experimentally, we investigate the effectiveness of Diffuser with extensive evaluations, including language modeling, image modeling, and Long Range Arena (LRA). Evaluation results show that Diffuser achieves improvements by an average of 0.94% on text classification tasks and 2.30% on LRA, with 1.67$\times$ memory savings compared to state-of-the-art benchmarks, which demonstrates superior performance of Diffuser in both expressiveness and efficiency aspects.

SARS-COV-19 is the most prominent issue which many countries face today. The frequent changes in infections, recovered and deaths represents the dynamic nature of this pandemic. It is very crucial to predict the spreading rate of this virus for accurate decision making against fighting with the situation of getting infected through the virus, tracking and controlling the virus transmission in the community. We develop a prediction model using statistical time series models such as SARIMA and FBProphet to monitor the daily active, recovered and death cases of COVID-19 accurately. Then with the help of various details across each individual patient (like height, weight, gender etc.), we designed a set of rules using Semantic Web Rule Language and some mathematical models for dealing with COVID19 infected cases on an individual basis. After combining all the models, a COVID-19 Ontology is developed and performs various queries using SPARQL query on designed Ontology which accumulate the risk factors, provide appropriate diagnosis, precautions and preventive suggestions for COVID Patients. After comparing the performance of SARIMA and FBProphet, it is observed that the SARIMA model performs better in forecasting of COVID cases. On individual basis COVID case prediction, approx. 497 individual samples have been tested and classified into five different levels of COVID classes such as Having COVID, No COVID, High Risk COVID case, Medium to High Risk case, and Control needed case.

Convolutional neural network (CNN) becomes one of the most popular and prominent deep learning architectures for computer vision, but its black box feature hides the internal prediction process. For this reason, AI practitioners have shed light on explainable AI to provide the interpretability of the model behavior. In particular, class activation map (CAM) and Grad-CAM based methods have shown promise results, but they have architectural limitation or gradient computing burden. To resolve these, Score-CAM has been suggested as a gradient-free method, however, it requires more execution time compared to CAM or Grad-CAM based methods. Therefore, we propose a lightweight architecture and gradient free Reciprocal CAM (Recipro-CAM) by spatially masking the extracted feature maps to exploit the correlation between activation maps and network outputs. With the proposed method, we achieved the gains of 1.78 - 3.72% in the ResNet family compared to Score-CAM in Average Drop- Coherence-Complexity (ADCC) metric, excluding the VGG-16 (1.39% drop). In addition, Recipro-CAM exhibits a saliency map generation rate similar to Grad-CAM and approximately 148 times faster than Score-CAM. The source code of Recipro-CAM is available at our data analysis framework.

Latent variable discovery is a central problem in data analysis with a broad range of applications in applied science. In this work, we consider data given as an invertible mixture of two statistically independent components, and assume that one of the components is observed while the other is hidden. Our goal is to recover the hidden component. For this purpose, we propose an autoencoder equipped with a discriminator. Unlike the standard nonlinear ICA problem, which was shown to be non-identifiable, in the special case of ICA we consider here, we show that our approach can recover the component of interest up to entropy-preserving transformation. We demonstrate the performance of the proposed approach on several datasets, including image synthesis, voice cloning, and fetal ECG extraction.

POMDPs capture a broad class of decision making problems, but hardness results suggest that learning is intractable even in simple settings due to the inherent partial observability. However, in many realistic problems, more information is either revealed or can be computed during some point of the learning process. Motivated by diverse applications ranging from robotics to data center scheduling, we formulate a \setting (\setshort) as a POMDP where the latent states are revealed to the learner in hindsight and only during training. We introduce new algorithms for the tabular and function approximation settings that are provably sample-efficient with hindsight observability, even in POMDPs that would otherwise be statistically intractable. We give a lower bound showing that the tabular algorithm is optimal in its dependence on latent state and observation cardinalities.

We present a novel robust policy gradient method (RPG) for s-rectangular robust Markov Decision Processes (MDPs). We are the first to derive the adversarial kernel in a closed form and demonstrate that it is a one-rank perturbation of the nominal kernel. This allows us to derive an RPG that is similar to the one used in non-robust MDPs, except with a robust Q-value function and an additional correction term. Both robust Q-values and correction terms are efficiently computable, thus the time complexity of our method matches that of non-robust MDPs, which is significantly faster compared to existing black box methods.

We present a generalized linear structural causal model, coupled with a novel data-adaptive linear regularization, to recover causal directed acyclic graphs (DAGs) from time series. By leveraging a recently developed stochastic monotone Variational Inequality (VI) formulation, we cast the causal discovery problem as a general convex optimization. Furthermore, we develop a non-asymptotic recovery guarantee and quantifiable uncertainty by solving a linear program to establish confidence intervals for a wide range of non-linear monotone link functions. We validate our theoretical results and show the competitive performance of our method via extensive numerical experiments. Most importantly, we demonstrate the effectiveness of our approach in recovering highly interpretable causal DAGs over Sepsis Associated Derangements (SADs) while achieving comparable prediction performance to powerful ``black-box'' models such as XGBoost. Thus, the future adoption of our proposed method to conduct continuous surveillance of high-risk patients by clinicians is much more likely.

From natural language processing to genome sequencing, large-scale machine learning models are bringing advances to a broad range of fields. Many of these models are too large to be trained on a single machine, and instead must be distributed across multiple devices. This has motivated the research of new compute and network systems capable of handling such tasks. In particular, recent work has focused on developing management schemes which decide how to allocate distributed resources such that some overall objective, such as minimising the job completion time (JCT), is optimised. However, such studies omit explicit consideration of how much a job should be distributed, usually assuming that maximum distribution is desirable. In this work, we show that maximum parallelisation is sub-optimal in relation to user-critical metrics such as throughput and blocking rate. To address this, we propose PAC-ML (partitioning for asynchronous computing with machine learning). PAC-ML leverages a graph neural network and reinforcement learning to learn how much to partition computation graphs such that the number of jobs which meet arbitrary user-defined JCT requirements is maximised. In experiments with five real deep learning computation graphs on a recently proposed optical architecture across four user-defined JCT requirement distributions, we demonstrate PAC-ML achieving up to 56.2% lower blocking rates in dynamic job arrival settings than the canonical maximum parallelisation strategy used by most prior works.

We consider the Feynman-Kitaev formalism applied to a spin chain described by the transverse field Ising model. This formalism consists of building a Hamiltonian whose ground state encodes the time evolution of the spin chain at discrete time steps. To find this ground state, variational wave functions parameterised by artificial neural networks -- also known as neural quantum states (NQSs) -- are used. Our work focuses on assessing, in the context of the Feynman-Kitaev formalism, two properties of NQSs: expressivity (the possibility that variational parameters can be set to values such that the NQS is faithful to the true ground state of the system) and trainability (the process of reaching said values). We find that the considered NQSs are capable of accurately approximating the true ground state of the system, i.e., they are expressive enough ans\"atze. However, extensive hyperparameter tuning experiments show that, empirically, reaching the set of values for the variational parameters that correctly describe the ground state becomes ever more difficult as the number of time steps increase because the true ground state becomes more entangled, and the probability distribution starts to spread across the Hilbert space canonical basis.

Gaussian processes are arguably the most important model class in spatial statistics. They encode prior information about the modeled function and can be used for exact or approximate Bayesian inference. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.

Counterfactual explanations describe how to modify a feature vector in order to flip the outcome of a trained classifier. Obtaining robust counterfactual explanations is essential to provide valid algorithmic recourse and meaningful explanations. We study the robustness of explanations of randomized ensembles, which are always subject to algorithmic uncertainty even when the training data is fixed. We formalize the generation of robust counterfactual explanations as a probabilistic problem and show the link between the robustness of ensemble models and the robustness of base learners. We develop a practical method with good empirical performance and support it with theoretical guarantees for ensembles of convex base learners. Our results show that existing methods give surprisingly low robustness: the validity of naive counterfactuals is below $50\%$ on most data sets and can fall to $20\%$ on problems with many features. In contrast, our method achieves high robustness with only a small increase in the distance from counterfactual explanations to their initial observations.

Developing systems that can synthesize natural and life-like motions for simulated characters has long been a focus for computer animation. But in order for these systems to be useful for downstream applications, they need not only produce high-quality motions, but must also provide an accessible and versatile interface through which users can direct a character's behaviors. Natural language provides a simple-to-use and expressive medium for specifying a user's intent. Recent breakthroughs in natural language processing (NLP) have demonstrated effective use of language-based interfaces for applications such as image generation and program synthesis. In this work, we present PADL, which leverages recent innovations in NLP in order to take steps towards developing language-directed controllers for physics-based character animation. PADL allows users to issue natural language commands for specifying both high-level tasks and low-level skills that a character should perform. We present an adversarial imitation learning approach for training policies to map high-level language commands to low-level controls that enable a character to perform the desired task and skill specified by a user's commands. Furthermore, we propose a multi-task aggregation method that leverages a language-based multiple-choice question-answering approach to determine high-level task objectives from language commands. We show that our framework can be applied to effectively direct a simulated humanoid character to perform a diverse array of complex motor skills.

The recent availability of electronic health records (EHRs) have provided enormous opportunities to develop artificial intelligence (AI) algorithms. However, patient privacy has become a major concern that limits data sharing across hospital settings and subsequently hinders the advances in AI. Synthetic data, which benefits from the development and proliferation of generative models, has served as a promising substitute for real patient EHR data. However, the current generative models are limited as they only generate single type of clinical data for a synthetic patient, i.e., either continuous-valued or discrete-valued. To mimic the nature of clinical decision-making which encompasses various data types/sources, in this study, we propose a generative adversarial network (GAN) entitled EHR-M-GAN which simultaneously synthesizes mixed-type timeseries EHR data. EHR-M-GAN is capable of capturing the multidimensional, heterogeneous, and correlated temporal dynamics in patient trajectories. We have validated EHR-M-GAN on three publicly-available intensive care unit databases with records from a total of 141,488 unique patients, and performed privacy risk evaluation of the proposed model. EHR-M-GAN has demonstrated its superiority over state-of-the-art benchmarks for synthesizing clinical timeseries with high fidelity, while addressing the limitations regarding data types and dimensionality in the current generative models. Notably, prediction models for outcomes of intensive care performed significantly better when training data was augmented with the addition of EHR-M-GAN-generated timeseries. EHR-M-GAN may have use in developing AI algorithms in resource-limited settings, lowering the barrier for data acquisition while preserving patient privacy.

Model multiplicity is a well-known but poorly understood phenomenon that undermines the generalisation guarantees of machine learning models. It appears when two models with similar training-time performance differ in their predictions and real-world performance characteristics. This observed 'predictive' multiplicity (PM) also implies elusive differences in the internals of the models, their 'representational' multiplicity (RM). We introduce a conceptual and experimental setup for analysing RM by measuring activation similarity via singular vector canonical correlation analysis (SVCCA). We show that certain differences in training methods systematically result in larger RM than others and evaluate RM and PM over a finite sample as predictors for generalizability. We further correlate RM with PM measured by the variance in i.i.d. and out-of-distribution test predictions in four standard image data sets. Finally, instead of attempting to eliminate RM, we call for its systematic measurement and maximal exposure.

In this work, we quantitatively calibrate the performance of global and local models in federated learning through a multi-criterion optimization-based framework, which we cast as a constrained program. The objective of a device is its local objective, which it seeks to minimize while satisfying nonlinear constraints that quantify the proximity between the local and the global model. By considering the Lagrangian relaxation of this problem, we develop a novel primal-dual method called Federated Learning Beyond Consensus (\texttt{FedBC}). Theoretically, we establish that \texttt{FedBC} converges to a first-order stationary point at rates that matches the state of the art, up to an additional error term that depends on a tolerance parameter introduced to scalarize the multi-criterion formulation. Finally, we demonstrate that \texttt{FedBC} balances the global and local model test accuracy metrics across a suite of datasets (Synthetic, MNIST, CIFAR-10, Shakespeare), achieving competitive performance with state-of-the-art.

Gradient-based methods for value estimation in reinforcement learning have favorable stability properties, but they are typically much slower than Temporal Difference (TD) learning methods. We study the root causes of this slowness and show that Mean Square Bellman Error (MSBE) is an ill-conditioned loss function in the sense that its Hessian has large condition-number. To resolve the adverse effect of poor conditioning of MSBE on gradient based methods, we propose a low complexity batch-free proximal method that approximately follows the Gauss-Newton direction and is asymptotically robust to parameterization. Our main algorithm, called RANS, is efficient in the sense that it is significantly faster than the residual gradient methods while having almost the same computational complexity, and is competitive with TD on the classic problems that we tested.

We propose a novel algorithm, Salient Conditional Diffusion (Sancdifi), a state-of-the-art defense against backdoor attacks. Sancdifi uses a denoising diffusion probabilistic model (DDPM) to degrade an image with noise and then recover said image using the learned reverse diffusion. Critically, we compute saliency map-based masks to condition our diffusion, allowing for stronger diffusion on the most salient pixels by the DDPM. As a result, Sancdifi is highly effective at diffusing out triggers in data poisoned by backdoor attacks. At the same time, it reliably recovers salient features when applied to clean data. This performance is achieved without requiring access to the model parameters of the Trojan network, meaning Sancdifi operates as a black-box defense.

Semi-supervised Learning (SSL) has witnessed great success owing to the impressive performances brought by various methods based on pseudo labeling and consistency regularization. However, we argue that existing methods might fail to utilize the unlabeled data more effectively since they either use a pre-defined / fixed threshold or an ad-hoc threshold adjusting scheme, resulting in inferior performance and slow convergence. We first analyze a motivating example to obtain intuitions on the relationship between the desirable threshold and model's learning status. Based on the analysis, we hence propose FreeMatch to adjust the confidence threshold in a self-adaptive manner according to the model's learning status. We further introduce a self-adaptive class fairness regularization penalty to encourage the model for diverse predictions during the early training stage. Extensive experiments indicate the superiority of FreeMatch especially when the labeled data are extremely rare. FreeMatch achieves 5.78%, 13.59%, and 1.28% error rate reduction over the latest state-of-the-art method FlexMatch on CIFAR-10 with 1 label per class, STL-10 with 4 labels per class, and ImageNet with 100 labels per class, respectively. Moreover, FreeMatch can also boost the performance of imbalanced SSL. The codes can be found at https://github.com/microsoft/Semi-supervised-learning.

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a teacher flow for estimating nuisance parameters and (ii) a student flow for a parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for an efficient and doubly robust estimation of the student flow parameters. As a result our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first fully-parametric, deep learning method for density estimation of potential outcomes.

This paper presents a new convergent Plug-and-Play (PnP) algorithm. PnP methods are efficient iterative algorithms for solving image inverse problems formulated as the minimization of the sum of a data-fidelity term and a regularization term. PnP methods perform regularization by plugging a pre-trained denoiser in a proximal algorithm, such as Proximal Gradient Descent (PGD). To ensure convergence of PnP schemes, many works study specific parametrizations of deep denoisers. However, existing results require either unverifiable or suboptimal hypotheses on the denoiser, or assume restrictive conditions on the parameters of the inverse problem. Observing that these limitations can be due to the proximal algorithm in use, we study a relaxed version of the PGD algorithm for minimizing the sum of a convex function and a weakly convex one. When plugged with a relaxed proximal denoiser, we show that the proposed PnP-$\alpha$PGD algorithm converges for a wider range of regularization parameters, thus allowing more accurate image restoration.

Black-box optimization (BBO) algorithms are concerned with finding the best solutions for problems with missing analytical details. Most classical methods for such problems are based on strong and fixed a priori assumptions, such as Gaussianity. However, the complex real-world problems, especially when the global optimum is desired, could be very far from the a priori assumptions because of their diversities, causing unexpected obstacles. In this study, we propose a generative adversarial net-based broad-spectrum global optimizer (OPT-GAN) which estimates the distribution of optimum gradually, with strategies to balance exploration-exploitation trade-off. It has potential to better adapt to the regularity and structure of diversified landscapes than other methods with fixed prior, e.g., Gaussian assumption or separability. Experiments on diverse BBO benchmarks and high dimensional real world applications exhibit that OPT-GAN outperforms other traditional and neural net-based BBO algorithms.

It is well known that two-sided markets are unfair in a number of ways. For instance, female workers at Uber earn less than their male colleagues per mile driven. Similar observations have been made for other minority subgroups in other two-sided markets. Here, we suggest a novel market-clearing mechanism for two-sided markets, which promotes equalisation of the pay per hour worked across multiple subgroups, as well as within each subgroup. In the process, we introduce a novel notion of subgroup fairness (which we call Inter-fairness), which can be combined with other notions of fairness within each subgroup (called Intra-fairness), and the utility for the customers (Customer-Care) in the objective of the market-clearing problem. While the novel non-linear terms in the objective complicate market clearing by making the problem non-convex, we show that a certain non-convex augmented Lagrangian relaxation can be approximated to any precision in time polynomial in the number of market participants using semi-definite programming. This makes it possible to implement the market-clearing mechanism efficiently. On the example of driver-ride assignment in an Uber-like system, we demonstrate the efficacy and scalability of the approach, and trade-offs between Inter- and Intra-fairness.

We introduce a computational efficient data-driven framework suitable for quantifying the uncertainty in physical parameters and model formulation of computer models, represented by differential equations. We construct physics-informed priors, which are multi-output GP priors that encode the model's structure in the covariance function. This is extended into a fully Bayesian framework that quantifies the uncertainty of physical parameters and model predictions. Since physical models often are imperfect descriptions of the real process, we allow the model to deviate from the observed data by considering a discrepancy function. For inference, Hamiltonian Monte Carlo is used. Further, approximations for big data are developed that reduce the computational complexity from $\mathcal{O}(N^3)$ to $\mathcal{O}(N\cdot m^2),$ where $m \ll N.$ Our approach is demonstrated in simulation and real data case studies where the physics are described by time-dependent ODEs describe (cardiovascular models) and space-time dependent PDEs (heat equation). In the studies, it is shown that our modelling framework can recover the true parameters of the physical models in cases where 1) the reality is more complex than our modelling choice and 2) the data acquisition process is biased while also producing accurate predictions. Furthermore, it is demonstrated that our approach is computationally faster than traditional Bayesian calibration methods.

Graphs are widely used to model the complex relationships among entities. As a powerful tool for graph analytics, graph neural networks (GNNs) have recently gained wide attention due to its end-to-end processing capabilities. With the proliferation of cloud computing, it is increasingly popular to deploy the services of complex and resource-intensive model training and inference in the cloud due to its prominent benefits. However, GNN training and inference services, if deployed in the cloud, will raise critical privacy concerns about the information-rich and proprietary graph data (and the resulting model). While there has been some work on secure neural network training and inference, they all focus on convolutional neural networks handling images and text rather than complex graph data with rich structural information. In this paper, we design, implement, and evaluate SecGNN, the first system supporting privacy-preserving GNN training and inference services in the cloud. SecGNN is built from a synergy of insights on lightweight cryptography and machine learning techniques. We deeply examine the procedure of GNN training and inference, and devise a series of corresponding secure customized protocols to support the holistic computation. Extensive experiments demonstrate that SecGNN achieves comparable plaintext training and inference accuracy, with promising performance.

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep generative models. A key issue with these models is their tendency to output samples outside of the support of the target distribution when learning disconnected distributions. We investigate the relationship between the performance of these models and the geometry of their latent space. Building on recent developments in geometric measure theory, we prove a sufficient condition for optimality in the case where the dimension of the latent space is larger than the number of modes. Through experiments on GANs, we demonstrate the validity of our theoretical results and gain new insights into the latent space geometry of these models. Additionally, we propose a truncation method that enforces a simplicial cluster structure in the latent space and improves the performance of GANs.

As machine learning (ML) algorithms are increasingly used in high-stakes applications, concerns have arisen that they may be biased against certain social groups. Although many approaches have been proposed to make ML models fair, they typically rely on the assumption that data distributions in training and deployment are identical. Unfortunately, this is commonly violated in practice and a model that is fair during training may lead to an unexpected outcome during its deployment. Although the problem of designing robust ML models under dataset shifts has been widely studied, most existing works focus only on the transfer of accuracy. In this paper, we study the transfer of both fairness and accuracy under domain generalization where the data at test time may be sampled from never-before-seen domains. We first develop theoretical bounds on the unfairness and expected loss at deployment, and then derive sufficient conditions under which fairness and accuracy can be perfectly transferred via invariant representation learning. Guided by this, we design a learning algorithm such that fair ML models learned with training data still have high fairness and accuracy when deployment environments change. Experiments on real-world data validate the proposed algorithm. Model implementation is available at https://github.com/pth1993/FATDM.  ( 2 min )

The dynamic Schr\"odinger bridge problem provides an appealing setting for solving optimal transport problems by learning non-linear diffusion processes using efficient iterative solvers. Recent works have demonstrated state-of-the-art results (eg. in modelling single-cell embryo RNA sequences or sampling from complex posteriors) but are limited to learning bridges with only initial and terminal constraints. Our work extends this paradigm by proposing the Iterative Smoothing Bridge (ISB). We integrate Bayesian filtering and optimal control into learning the diffusion process, enabling constrained stochastic processes governed by sparse observations at intermediate stages and terminal constraints. We assess the effectiveness of our method on synthetic and real-world data and show that the ISB generalises well to high-dimensional data, is computationally efficient, and provides accurate estimates of the marginals at intermediate and terminal times.

Probabilistic graphical models (PGMs) provide a compact and flexible framework to model very complex real-life phenomena. They combine the probability theory which deals with uncertainty and logical structure represented by a graph which allows one to cope with the computational complexity and also interpret and communicate the obtained knowledge. In the thesis, we consider two different types of PGMs: Bayesian networks (BNs) which are static, and continuous time Bayesian networks which, as the name suggests, have a temporal component. We are interested in recovering their true structure, which is the first step in learning any PGM. This is a challenging task, which is interesting in itself from the causal point of view, for the purposes of interpretation of the model and the decision-making process. All approaches for structure learning in the thesis are united by the same idea of maximum likelihood estimation with the LASSO penalty. The problem of structure learning is reduced to the problem of finding non-zero coefficients in the LASSO estimator for a generalized linear model. In the case of CTBNs, we consider the problem both for complete and incomplete data. We support the theoretical results with experiments.  ( 2 min )

Methods to detect malignant lesions from screening mammograms are usually trained with fully annotated datasets, where images are labelled with the localisation and classification of cancerous lesions. However, real-world screening mammogram datasets commonly have a subset that is fully annotated and another subset that is weakly annotated with just the global classification (i.e., without lesion localisation). Given the large size of such datasets, researchers usually face a dilemma with the weakly annotated subset: to not use it or to fully annotate it. The first option will reduce detection accuracy because it does not use the whole dataset, and the second option is too expensive given that the annotation needs to be done by expert radiologists. In this paper, we propose a middle-ground solution for the dilemma, which is to formulate the training as a weakly- and semi-supervised learning problem that we refer to as malignant breast lesion detection with incomplete annotations. To address this problem, our new method comprises two stages, namely: 1) pre-training a multi-view mammogram classifier with weak supervision from the whole dataset, and 2) extending the trained classifier to become a multi-view detector that is trained with semi-supervised student-teacher learning, where the training set contains fully and weakly-annotated mammograms. We provide extensive detection results on two real-world screening mammogram datasets containing incomplete annotations, and show that our proposed approach achieves state-of-the-art results in the detection of malignant breast lesions with incomplete annotations.

Simulating abundances of stable water isotopologues, i.e. molecules differing in their isotopic composition, within climate models allows for comparisons with proxy data and, thus, for testing hypotheses about past climate and validating climate models under varying climatic conditions. However, many models are run without explicitly simulating water isotopologues. We investigate the possibility to replace the explicit physics-based simulation of oxygen isotopic composition in precipitation using machine learning methods. These methods estimate isotopic composition at each time step for given fields of surface temperature and precipitation amount. We implement convolutional neural networks (CNNs) based on the successful UNet architecture and test whether a spherical network architecture outperforms the naive approach of treating Earth's latitude-longitude grid as a flat image. Conducting a case study on a last millennium run with the iHadCM3 climate model, we find that roughly 40\% of the temporal variance in the isotopic composition is explained by the emulations on interannual and monthly timescale, with spatially varying emulation quality. A modified version of the standard UNet architecture for flat images yields results that are equally good as the predictions by the spherical CNN. We test generalization to last millennium runs of other climate models and find that while the tested deep learning methods yield the best results on iHadCM3 data, the performance drops when predicting on other models and is comparable to simple pixel-wise linear regression. An extended choice of predictor variables and improving the robustness of learned climate--oxygen isotope relationships should be explored in future work.

Natural Language Processing (NLP) inference is seeing increasing adoption by mobile applications, where on-device inference is desirable for crucially preserving user data privacy and avoiding network roundtrips. Yet, the unprecedented size of an NLP model stresses both latency and memory, creating a tension between the two key resources of a mobile device. To meet a target latency, holding the whole model in memory launches execution as soon as possible but increases one app's memory footprints by several times, limiting its benefits to only a few inferences before being recycled by mobile memory management. On the other hand, loading the model from storage on demand incurs IO as long as a few seconds, far exceeding the delay range satisfying to a user; pipelining layerwise model loading and execution does not hide IO either, due to the high skewness between IO and computation delays. To this end, we propose Speedy Transformer Inference (STI). Built on the key idea of maximizing IO/compute resource utilization on the most important parts of a model, STI reconciles the latency v.s. memory tension via two novel techniques. First, model sharding. STI manages model parameters as independently tunable shards, and profiles their importance to accuracy. Second, elastic pipeline planning with a preload buffer. STI instantiates an IO/compute pipeline and uses a small buffer for preload shards to bootstrap execution without stalling at early stages; it judiciously selects, tunes, and assembles shards per their importance for resource-elastic execution, maximizing inference accuracy. Atop two commodity SoCs, we build STI and evaluate it against a wide range of NLP tasks, under a practical range of target latencies, and on both CPU and GPU. We demonstrate that STI delivers high accuracies with 1-2 orders of magnitude lower memory, outperforming competitive baselines.

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings: valid inference after data peeking requires correcting for multiple testing but such corrections generally result in low power. Following the principle of testing by betting, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings. We exemplify our broad framework using bets inspired by kernelized dependence measures, e.g, the Hilbert-Schmidt independence criterion. Our test is valid under non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.

Speech patterns have been identified as potential diagnostic markers for neuropsychiatric conditions. However, most studies only compare a single clinical group to healthy controls, whereas clinical practice often requires differentiating between multiple potential diagnoses (multiclass settings). To address this, we assembled a dataset of repeated recordings from 420 participants (67 with major depressive disorder, 106 with schizophrenia and 46 with autism, as well as matched controls), and tested the performance of a range of conventional machine learning models and advanced Transformer models on both binary and multiclass classification, based on voice and text features. While binary models performed comparably to previous research (F1 scores between 0.54-0.75 for autism spectrum disorder, ASD; 0.67-0.92 for major depressive disorder, MDD; and 0.71-0.83 for schizophrenia); when differentiating between multiple diagnostic groups performance decreased markedly (F1 scores between 0.35-0.44 for ASD, 0.57-0.75 for MDD, 0.15-0.66 for schizophrenia, and 0.38-0.52 macro F1). Combining voice and text-based models yielded increased performance, suggesting that they capture complementary diagnostic information. Our results indicate that models trained on binary classification may learn to rely on markers of generic differences between clinical and non-clinical populations, or markers of clinical features that overlap across conditions, rather than identifying markers specific to individual conditions. We provide recommendations for future research in the field, suggesting increased focus on developing larger transdiagnostic datasets that include more fine-grained clinical features, and that can support the development of models that better capture the complexity of neuropsychiatric conditions and naturalistic diagnostic assessment.

Software Defined Networks have opened the door to statistical and AI-based techniques to improve efficiency of networking. Especially to ensure a certain Quality of Service (QoS) for specific applications by routing packets with awareness on content nature (VoIP, video, files, etc.) and its needs (latency, bandwidth, etc.) to use efficiently resources of a network. Monitoring and predicting various Key Performance Indicators (KPIs) at any level may handle such problems while preserving network bandwidth. The question addressed in this work is the design of efficient, low-cost adaptive algorithms for KPI estimation, monitoring and prediction. We focus on end-to-end latency prediction, for which we illustrate our approaches and results on data obtained from a public generator provided after the recent international challenge on GNN [12]. In this paper, we improve our previously proposed low-cost estimators [6] by adding the adaptive dimension, and show that the performances are minimally modified while gaining the ability to track varying networks.

Vision Transformers (ViTs) are becoming a very popular paradigm for vision tasks as they achieve state-of-the-art performance on image classification. However, although early works implied that this network structure had increased robustness against adversarial attacks, some works argue ViTs are still vulnerable. This paper presents our first attempt toward detecting adversarial attacks during inference time using the network's input and outputs as well as latent features. We design four quantifications (or derivatives) of input, output, and latent vectors of ViT-based models that provide a signature of the inference, which could be beneficial for the attack detection, and empirically study their behavior over clean samples and adversarial samples. The results demonstrate that the quantifications from input (images) and output (posterior probabilities) are promising for distinguishing clean and adversarial samples, while latent vectors offer less discriminative power, though they give some insights on how adversarial perturbations work.

Robustness and safety are critical for the trustworthy deployment of deep reinforcement learning in real-world decision making applications. In particular, we require algorithms that can guarantee robust, safe performance in the presence of general environment disturbances, while making limited assumptions on the data collection process during training. In this work, we propose a safe reinforcement learning framework with robustness guarantees through the use of an optimal transport cost uncertainty set. We provide an efficient, theoretically supported implementation based on Optimal Transport Perturbations, which can be applied in a completely offline fashion using only data collected in a nominal training environment. We demonstrate the robust, safe performance of our approach on a variety of continuous control tasks with safety constraints in the Real-World Reinforcement Learning Suite.

Motivated by time series forecasting, we study Online Linear Optimization (OLO) under the coupling of two problem structures: the domain is unbounded, and the performance of an algorithm is measured by its dynamic regret. Handling either of them requires the regret bound to depend on certain complexity measure of the comparator sequence -- specifically, the comparator norm in unconstrained OLO, and the path length in dynamic regret. In contrast to a recent work (Jacobsen & Cutkosky, 2022) that adapts to the combination of these two complexity measures, we propose an alternative complexity measure by recasting the problem into sparse coding. Adaptivity can be achieved by a simple modular framework, which naturally exploits more intricate prior knowledge of the environment. Along the way, we also present a new gradient adaptive algorithm for static unconstrained OLO, designed using novel continuous time machinery. This could be of independent interest.

We initiate the study of strategic behavior in screening processes with multiple classifiers. We focus on two contrasting settings: a conjunctive setting in which an individual must satisfy all classifiers simultaneously, and a sequential setting in which an individual to succeed must satisfy classifiers one at a time. In other words, we introduce the combination of strategic classification with screening processes. We show that sequential screening pipelines exhibit new and surprising behavior where individuals can exploit the sequential ordering of the tests to zig-zag between classifiers without having to simultaneously satisfy all of them. We demonstrate an individual can obtain a positive outcome using a limited manipulation budget even when far from the intersection of the positive regions of every classifier. Finally, we consider a learner whose goal is to design a sequential screening process that is robust to such manipulations, and provide a construction for the learner that optimizes a natural objective.

Trustworthy machine learning aims at combating distributional uncertainties in training data distributions compared to population distributions. Typical treatment frameworks include the Bayesian approach, (min-max) distributionally robust optimization (DRO), and regularization. However, two issues have to be raised: 1) All these methods are biased estimators of the true optimal cost; 2) the prior distribution in the Bayesian method, the radius of the distributional ball in the DRO method, and the regularizer in the regularization method are difficult to specify. This paper studies a new framework that unifies the three approaches and that addresses the two challenges mentioned above. The asymptotic properties (e.g., consistency and asymptotic normalities), non-asymptotic properties (e.g., unbiasedness and generalization error bound), and a Monte--Carlo-based solution method of the proposed model are studied. The new model reveals the trade-off between the robustness to the unseen data and the specificity to the training data.

Pitch and meter are two fundamental music features for symbolic music generation tasks, where researchers usually choose different encoding methods depending on specific goals. However, the advantages and drawbacks of different encoding methods have not been frequently discussed. This paper presents a integrated analysis of the influence of two low-level feature, pitch and meter, on the performance of a token-based sequential music generation model. First, the commonly used MIDI number encoding and a less used class-octave encoding are compared. Second, an dense intra-bar metric grid is imposed to the encoded sequence as auxiliary features. Different complexity and resolutions of the metric grid are compared. For complexity, the single token approach and the multiple token approach are compared; for grid resolution, 0 (ablation), 1 (bar-level), 4 (downbeat-level) 12, (8th-triplet-level) up to 64 (64th-note-grid-level) are compared; for duration resolution, 4, 8, 12 and 16 subdivisions per beat are compared. All different encodings are tested on separately trained Transformer-XL models for a melody generation task. Regarding distribution similarity of several objective evaluation metrics to the test dataset, results suggest that the class-octave encoding significantly outperforms the taken-for-granted MIDI encoding on pitch-related metrics; finer grids and multiple-token grids improve the rhythmic quality, but also suffer from over-fitting at early training stage. Results display a general phenomenon of over-fitting from two aspects, the pitch embedding space and the test loss of the single-token grid encoding. From a practical perspective, we both demonstrate the feasibility and raise the concern of easy over-fitting problem of using smaller networks and lower embedding dimensions on the generation task. The findings can also contribute to futural models in terms of feature engineering.

We establish estimations for the parameters of the output distribution for the softmax activation function using the probit function. As an application, we develop a new efficient Bayesian learning algorithm for fully connected neural networks, where training and predictions are performed within the Bayesian inference framework in closed-form. This approach allows sequential learning and requires no computationally expensive gradient calculation and Monte Carlo sampling. Our work generalizes the Bayesian algorithm for a single perceptron for binary classification in \cite{H} to multi-layer perceptrons for multi-class classification.

We study the design decisions of publicly available instruction tuning methods, and break down the development of Flan 2022 (Chung et al., 2022). Through careful ablation studies on the Flan Collection of tasks and methods, we tease apart the effect of design decisions which enable Flan-T5 to outperform prior work by 3-17%+ across evaluation settings. We find task balancing and enrichment techniques are overlooked but critical to effective instruction tuning, and in particular, training with mixed prompt settings (zero-shot, few-shot, and chain-of-thought) actually yields stronger (2%+) performance in all settings. In further experiments, we show Flan-T5 requires less finetuning to converge higher and faster than T5 on single downstream tasks, motivating instruction-tuned models as more computationally-efficient starting checkpoints for new tasks. Finally, to accelerate research on instruction tuning, we make the Flan 2022 collection of datasets, templates, and methods publicly available at https://github.com/google-research/FLAN/tree/main/flan/v2.

Numerical approximations of partial differential equations (PDEs) are routinely employed to formulate the solution of physics, engineering and mathematical problems involving functions of several variables, such as the propagation of heat or sound, fluid flow, elasticity, electrostatics, electrodynamics, and more. While this has led to solving many complex phenomena, there are still significant limitations. Conventional approaches such as Finite Element Methods (FEMs) and Finite Differential Methods (FDMs) require considerable time and are computationally expensive. In contrast, machine learning-based methods such as neural networks are faster once trained, but tend to be restricted to a specific discretization. This article aims to provide a comprehensive summary of conventional methods and recent machine learning-based methods to approximate PDEs numerically. Furthermore, we highlight several key architectures centered around the neural operator, a novel and fast approach (1000x) to learning the solution operator of a PDE. We will note how these new computational approaches can bring immense advantages in tackling many problems in fundamental and applied physics.

The adoption of deep neural networks (DNNs) in safety-critical contexts is often prevented by the lack of effective means to explain their results, especially when they are erroneous. In our previous work, we proposed a white-box approach (HUDD) and a black-box approach (SAFE) to automatically characterize DNN failures. They both identify clusters of similar images from a potentially large set of images leading to DNN failures. However, the analysis pipelines for HUDD and SAFE were instantiated in specific ways according to common practices, deferring the analysis of other pipelines to future work. In this paper, we report on an empirical evaluation of 99 different pipelines for root cause analysis of DNN failures. They combine transfer learning, autoencoders, heatmaps of neuron relevance, dimensionality reduction techniques, and different clustering algorithms. Our results show that the best pipeline combines transfer learning, DBSCAN, and UMAP. It leads to clusters almost exclusively capturing images of the same failure scenario, thus facilitating root cause analysis. Further, it generates distinct clusters for each root cause of failure, thus enabling engineers to detect all the unsafe scenarios. Interestingly, these results hold even for failure scenarios that are only observed in a small percentage of the failing images.

Motion prediction for automated vehicles in complex environments is a difficult task that is to be mastered when automated vehicles are to be used in arbitrary situations. Many factors influence the future motion of traffic participants starting with traffic rules and reaching from the interaction between each other to personal habits of human drivers. Therefore we present a novel approach for a graph-based prediction based on a heterogeneous holistic graph representation that combines temporal information, properties and relations between traffic participants as well as relations with static elements like the road network. The information are encoded through different types of nodes and edges that both are enriched with arbitrary features. We evaluated the approach on the INTERACTION and the Argoverse dataset and conducted an informative ablation study to demonstrate the benefit of different types of information for the motion prediction quality.

Domain adaptation has attracted a great deal of attention in the machine learning community, but it requires access to source data, which often raises concerns about data privacy. We are thus motivated to address these issues and propose a simple yet efficient method. This work treats domain adaptation as an unsupervised clustering problem and trains the target model without access to the source data. Specifically, we propose a loss function called contrast and clustering (CaC), where a positive pair term pulls neighbors belonging to the same class together in the feature space to form clusters, while a negative pair term pushes samples of different classes apart. In addition, extended neighbors are taken into account by querying the nearest neighbor indexes in the memory bank to mine for more valuable negative pairs. Extensive experiments on three common benchmarks, VisDA, Office-Home and Office-31, demonstrate that our method achieves state-of-the-art performance. The code will be made publicly available at https://github.com/yukilulu/CaC.

Spatio-temporal graph neural networks (STGNN) have emerged as the dominant model for spatio-temporal graph (STG) forecasting. Despite their success, they fail to model intrinsic uncertainties within STG data, which cripples their practicality in downstream tasks for decision-making. To this end, this paper focuses on probabilistic STG forecasting, which is challenging due to the difficulty in modeling uncertainties and complex ST dependencies. In this study, we present the first attempt to generalize the popular denoising diffusion probabilistic models to STGs, leading to a novel non-autoregressive framework called DiffSTG, along with the first denoising network UGnet for STG in the framework. Our approach combines the spatio-temporal learning capabilities of STGNNs with the uncertainty measurements of diffusion models. Extensive experiments validate that DiffSTG reduces the Continuous Ranked Probability Score (CRPS) by 4%-14%, and Root Mean Squared Error (RMSE) by 2%-7% over existing methods on three real-world datasets.

We introduce a new algorithm promoting sparsity called {\it Support Exploration Algorithm (SEA)} and analyze it in the context of support recovery/model selection problems.The algorithm can be interpreted as an instance of the {\it straight-through estimator (STE)} applied to the resolution of a sparse linear inverse problem. SEA uses a non-sparse exploratory vector and makes it evolve in the input space to select the sparse support. We put to evidence an oracle update rule for the exploratory vector and consider the STE update. The theoretical analysis establishes general sufficient conditions of support recovery. The general conditions are specialized to the case where the matrix $A$ performing the linear measurements satisfies the {\it Restricted Isometry Property (RIP)}.Experiments show that SEA can efficiently improve the results of any algorithm. Because of its exploratory nature, SEA also performs remarkably well when the columns of $A$ are strongly coherent.

We study the stability and convergence of training deep ResNets with gradient descent. Specifically, we show that the parametric branch in the residual block should be scaled down by a factor $\tau =O(1/\sqrt{L})$ to guarantee stable forward/backward process, where $L$ is the number of residual blocks. Moreover, we establish a converse result that the forward process is unbounded when $\tau>L^{-\frac{1}{2}+c}$, for any positive constant $c$. The above two results together establish a sharp value of the scaling factor in determining the stability of deep ResNet. Based on the stability result, we further show that gradient descent finds the global minima if the ResNet is properly over-parameterized, which significantly improves over the previous work with a much larger range of $\tau$ that admits global convergence. Moreover, we show that the convergence rate is independent of the depth, theoretically justifying the advantage of ResNet over vanilla feedforward network. Empirically, with such a factor $\tau$, one can train deep ResNet without normalization layer. Moreover, for ResNets with normalization layer, adding such a factor $\tau$ also stabilizes the training and obtains significant performance gain for deep ResNet.

The fairness of machine learning-based decisions has become an increasingly important focus in the design of supervised machine learning methods. Most fairness approaches optimize a specified trade-off between performance measure(s) (e.g., accuracy, log loss, or AUC) and fairness metric(s) (e.g., demographic parity, equalized odds). This begs the question: are the right performance-fairness trade-offs being specified? We instead re-cast fair machine learning as an imitation learning task by introducing superhuman fairness, which seeks to simultaneously outperform human decisions on multiple predictive performance and fairness measures. We demonstrate the benefits of this approach given suboptimal decisions.

Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that quantitative structure-activity relationship (QSAR) models struggle to predict ACs and that ACs thus form a major source of prediction error. However, a study to explore the AC-prediction power of modern QSAR methods and its relationship to general QSAR-prediction performance is lacking. We systematically construct nine distinct QSAR models by combining three molecular representation methods (extended-connectivity fingerprints, physicochemical-descriptor vectors and graph isomorphism networks) with three regression techniques (random forests, k-nearest neighbours and multilayer perceptrons); we then use each resulting model to classify pairs of similar compounds as ACs or non-ACs and to predict the activities of individual molecules in three case studies: dopamine receptor D2, factor Xa, and SARS-CoV-2 main protease. We observe low AC-sensitivity amongst the tested models when the activities of both compounds are unknown, but a substantial increase in AC-sensitivity when the actual activity of one of the compounds is given. Graph isomorphism features are found to be competitive with or superior to classical molecular representations for AC-classification and can thus be employed as baseline AC-prediction models or simple compound-optimisation tools. For general QSAR-prediction, however, extended-connectivity fingerprints still consistently deliver the best performance. Our results provide strong support for the hypothesis that indeed QSAR methods frequently fail to predict ACs. We propose twin-network training for deep learning models as a potential future pathway to increase AC-sensitivity and thus overall QSAR performance.

In this paper, we address the problem of estimating the in-hand 6D pose of an object in contact with multiple vision-based tactile sensors. We reason on the possible spatial configurations of the sensors along the object surface. Specifically, we filter contact hypotheses using geometric reasoning and a Convolutional Neural Network (CNN), trained on simulated object-agnostic images, to promote those that better comply with the actual tactile images from the sensors. We use the selected sensors configurations to optimize over the space of 6D poses using a Gradient Descent-based approach. We finally rank the obtained poses by penalizing those that are in collision with the sensors. We carry out experiments in simulation using the DIGIT vision-based sensor with several objects, from the standard YCB model set. The results demonstrate that our approach estimates object poses that are compatible with actual object-sensor contacts in $87.5\%$ of cases while reaching an average positional error in the order of $2$ centimeters. Our analysis also includes qualitative results of experiments with a real DIGIT sensor.

Any representation of data involves arbitrary investigator choices. Because those choices are external to the data-generating process, each choice leads to an exact symmetry, corresponding to the group of transformations that takes one possible representation to another. These are the passive symmetries; they include coordinate freedom, gauge symmetry and units covariance, all of which have led to important results in physics. Our goal is to understand the implications of passive symmetries for machine learning: Which passive symmetries play a role (e.g., permutation symmetry in graph neural networks)? What are dos and don'ts in machine learning practice? We assay conditions under which passive symmetries can be implemented as group equivariances. We also discuss links to causal modeling, and argue that the implementation of passive symmetries is particularly valuable when the goal of the learning problem is to generalize out of sample. While this paper is purely conceptual, we believe that it can have a significant impact on helping machine learning make the transition that took place for modern physics in the first half of the Twentieth century.

Model-based next state prediction and state value prediction are slow to converge. To address these challenges, we do the following: i) Instead of a neural network, we do model-based planning using a parallel memory retrieval system (which we term the slow mechanism); ii) Instead of learning state values, we guide the agent's actions using goal-directed exploration, by using a neural network to choose the next action given the current state and the goal state (which we term the fast mechanism). The goal-directed exploration is trained online using hippocampal replay of visited states and future imagined states every single time step, leading to fast and efficient training. Empirical studies show that our proposed method has a 92% solve rate across 100 episodes in a dynamically changing grid world, significantly outperforming state-of-the-art actor critic mechanisms such as PPO (54%), TRPO (50%) and A2C (24%). Ablation studies demonstrate that both mechanisms are crucial. We posit that the future of Reinforcement Learning (RL) will be to model goals and sub-goals for various tasks, and plan it out in a goal-directed memory-based approach.

The R package DoubleML implements the double/debiased machine learning framework of Chernozhukov et al. (2018). It provides functionalities to estimate parameters in causal models based on machine learning methods. The double machine learning framework consist of three key ingredients: Neyman orthogonality, high-quality machine learning estimation and sample splitting. Estimation of nuisance components can be performed by various state-of-the-art machine learning methods that are available in the mlr3 ecosystem. DoubleML makes it possible to perform inference in a variety of causal models, including partially linear and interactive regression models and their extensions to instrumental variable estimation. The object-oriented implementation of DoubleML enables a high flexibility for the model specification and makes it easily extendable. This paper serves as an introduction to the double machine learning framework and the R package DoubleML. In reproducible code examples with simulated and real data sets, we demonstrate how DoubleML users can perform valid inference based on machine learning methods.

Cerebral microbleeds detection is an important and challenging task. With the gaining popularity of the MRI, the ability to detect cerebral microbleeds also raises. Unfortunately, for radiologists, it is a time-consuming and laborious procedure. For this reason, various solutions to automate this process have been proposed for several years, but none of them is currently used in medical practice. In this context, the need to systematize the existing knowledge and best practices has been recognized as a factor facilitating the imminent synthesis of a real CMBs detection system practically applicable in medicine. To the best of our knowledge, all available publications regarding automatic cerebral microbleeds detection have been gathered, described, and assessed in this paper in order to distinguish the current research state and provide a starting point for future studies.

Curriculum learning (CL) - training using samples that are generated and presented in a meaningful order - was introduced in the machine learning context around a decade ago. While CL has been extensively used and analysed empirically, there has been very little mathematical justification for its advantages. We introduce a CL model for learning the class of k-parities on d bits of a binary string with a neural network trained by stochastic gradient descent (SGD). We show that a wise choice of training examples, involving two or more product distributions, allows to reduce significantly the computational cost of learning this class of functions, compared to learning under the uniform distribution. We conduct experiments to support our analysis. Furthermore, we show that for another class of functions - namely the `Hamming mixtures' - CL strategies involving a bounded number of product distributions are not beneficial, while we conjecture that CL with unbounded many curriculum steps can learn this class efficiently.

A multitude of explainability methods and associated fidelity performance metrics have been proposed to help better understand how modern AI systems make decisions. However, much of the current work has remained theoretical -- without much consideration for the human end-user. In particular, it is not yet known (1) how useful current explainability methods are in practice for more real-world scenarios and (2) how well associated performance metrics accurately predict how much knowledge individual explanations contribute to a human end-user trying to understand the inner-workings of the system. To fill this gap, we conducted psychophysics experiments at scale to evaluate the ability of human participants to leverage representative attribution methods for understanding the behavior of different image classifiers representing three real-world scenarios: identifying bias in an AI system, characterizing the visual strategy it uses for tasks that are too difficult for an untrained non-expert human observer as well as understanding its failure cases. Our results demonstrate that the degree to which individual attribution methods help human participants better understand an AI system varied widely across these scenarios. This suggests a critical need for the field to move past quantitative improvements of current attribution methods towards the development of complementary approaches that provide qualitatively different sources of information to human end-users.

Backdoor attacks are dangerous and difficult to prevent in federated learning (FL), where training data is sourced from untrusted clients over long periods of time. These difficulties arise because: (a) defenders in FL do not have access to raw training data, and (b) a new phenomenon we identify called backdoor leakage causes models trained continuously to eventually suffer from backdoors due to cumulative errors in defense mechanisms. We propose shadow learning, a framework for defending against backdoor attacks in the FL setting under long-range training. Shadow learning trains two models in parallel: a backbone model and a shadow model. The backbone is trained without any defense mechanism to obtain good performance on the main task. The shadow model combines filtering of malicious clients with early-stopping to control the attack success rate even as the data distribution changes. We theoretically motivate our design and show experimentally that our framework significantly improves upon existing defenses against backdoor attacks.

Company financial risk is ubiquitous and early risk assessment for listed companies can avoid considerable losses. Traditional methods mainly focus on the financial statements of companies and lack the complex relationships among them. However, the financial statements are often biased and lagged, making it difficult to identify risks accurately and timely. To address the challenges, we redefine the problem as \textbf{company financial risk assessment on tribe-style graph} by taking each listed company and its shareholders as a tribe and leveraging financial news to build inter-tribe connections. Such tribe-style graphs present different patterns to distinguish risky companies from normal ones. However, most nodes in the tribe-style graph lack attributes, making it difficult to directly adopt existing graph learning methods (e.g., Graph Neural Networks(GNNs)). In this paper, we propose a novel Hierarchical Graph Neural Network (TH-GNN) for Tribe-style graphs via two levels, with the first level to encode the structure pattern of the tribes with contrastive learning, and the second level to diffuse information based on the inter-tribe relations, achieving effective and efficient risk assessment. Extensive experiments on the real-world company dataset show that our method achieves significant improvements on financial risk assessment over previous competing methods. Also, the extensive ablation studies and visualization comprehensively show the effectiveness of our method.

Perturbative availability poisoning (PAP) adds small changes to images to prevent their use for model training. Current research adopts the belief that practical and effective approaches to countering such poisons do not exist. In this paper, we argue that it is time to abandon this belief. We present extensive experiments showing that 12 state-of-the-art PAP methods are vulnerable to Image Shortcut Squeezing (ISS), which is based on simple compression. For example, on average, ISS restores the CIFAR-10 model accuracy to $81.73\%$, surpassing the previous best preprocessing-based countermeasures by $37.97\%$ absolute. ISS also (slightly) outperforms adversarial training and has higher generalizability to unseen perturbation norms and also higher efficiency. Our investigation reveals that the property of PAP perturbations depends on the type of surrogate model used for poison generation, and it explains why a specific ISS compression yields the best performance for a specific type of PAP perturbation. We further test stronger, adaptive poisoning, and show it falls short of being an ideal defense against ISS. Overall, our results demonstrate the importance of considering various (simple) countermeasures to ensure the meaningfulness of analysis carried out during the development of availability poisons.

Software and System logs record runtime information about processes executing within a system. These logs have become the most critical and ubiquitous forms of observability data that help developers understand system behavior, monitor system health and resolve issues. However, the volume of logs generated can be humongous (of the order of petabytes per day) especially for complex distributed systems, such as cloud, search engine, social media, etc. This has propelled a lot of research on developing AI-based log based analytics and intelligence solutions that can process huge volume of raw logs and generate insights. In order to enable users to perform multiple types of AI-based log analysis tasks in a uniform manner, we introduce LogAI (https://github.com/salesforce/logai), a one-stop open source library for log analytics and intelligence. LogAI supports tasks such as log summarization, log clustering and log anomaly detection. It adopts the OpenTelemetry data model, to enable compatibility with different log management platforms. LogAI provides a unified model interface and provides popular time-series, statistical learning and deep learning models. Alongside this, LogAI also provides an out-of-the-box GUI for users to conduct interactive analysis. With LogAI, we can also easily benchmark popular deep learning algorithms for log anomaly detection without putting in redundant effort to process the logs. We have opensourced LogAI to cater to a wide range of applications benefiting both academic research and industrial prototyping.

Recent work has empirically shown that deep neural networks latch on to the Fourier statistics of training data and show increased sensitivity to Fourier-basis directions in the input. Understanding and modifying this Fourier-sensitivity of computer vision models may help improve their robustness. Hence, in this paper we study the frequency sensitivity characteristics of deep neural networks using a principled approach. We first propose a basis trick, proving that unitary transformations of the input-gradient of a function can be used to compute its gradient in the basis induced by the transformation. Using this result, we propose a general measure of any differentiable model's Fourier-sensitivity using the unitary Fourier-transform of its input-gradient. When applied to deep neural networks, we find that computer vision models are consistently sensitive to particular frequencies dependent on the dataset, training method and architecture. Based on this measure, we further propose a Fourier-regularization framework to modify the Fourier-sensitivities and frequency bias of models. Using our proposed regularizer-family, we demonstrate that deep neural networks obtain improved classification accuracy on robustness evaluations.

We study the connection between multicalibration and boosting for squared error regression. First we prove a useful characterization of multicalibration in terms of a ``swap regret'' like condition on squared error. Using this characterization, we give an exceedingly simple algorithm that can be analyzed both as a boosting algorithm for regression and as a multicalibration algorithm for a class H that makes use only of a standard squared error regression oracle for H. We give a weak learning assumption on H that ensures convergence to Bayes optimality without the need to make any realizability assumptions -- giving us an agnostic boosting algorithm for regression. We then show that our weak learning assumption on H is both necessary and sufficient for multicalibration with respect to H to imply Bayes optimality. We also show that if H satisfies our weak learning condition relative to another class C then multicalibration with respect to H implies multicalibration with respect to C. Finally we investigate the empirical performance of our algorithm experimentally using an open source implementation that we make available. Our code repository can be found at https://github.com/Declancharrison/Level-Set-Boosting.

Classical machine learning (CML) occupies nearly half of machine learning pipelines in production applications. Unfortunately, it fails to utilize the state-of-the-practice devices fully and performs poorly. Without a unified framework, the hybrid deployments of deep learning (DL) and CML also suffer from severe performance and portability issues. This paper presents the design of a unified compiler, called CMLCompiler, for CML inference. We propose two unified abstractions: operator representations and extended computational graphs. The CMLCompiler framework performs the conversion and graph optimization based on two unified abstractions, then outputs an optimized computational graph to DL compilers or frameworks. We implement CMLCompiler on TVM. The evaluation shows CMLCompiler's portability and superior performance. It achieves up to 4.38x speedup on CPU, 3.31x speedup on GPU, and 5.09x speedup on IoT devices, compared to the state-of-the-art solutions -- scikit-learn, intel sklearn, and hummingbird. Our performance of CML and DL mixed pipelines achieves up to 3.04x speedup compared with cross-framework implementations.

Anomaly detection methods are part of the systems where rare events may endanger an operation's profitability, safety, and environmental aspects. Although many state-of-the-art anomaly detection methods were developed to date, their deployment is limited to the operation conditions present during the model training. Online anomaly detection brings the capability to adapt to data drifts and change points that may not be represented during model development resulting in prolonged service life. This paper proposes an online anomaly detection algorithm for existing real-time infrastructures where low-latency detection is required and novel patterns in data occur unpredictably. The online inverse cumulative distribution-based approach is introduced to eliminate common problems of offline anomaly detectors, meanwhile providing dynamic process limits to normal operation. The benefit of the proposed method is the ease of use, fast computation, and deployability as shown in two case studies of real microgrid operation data.

Demographic parity is the most widely recognized measure of group fairness in machine learning, which ensures equal treatment of different demographic groups. Numerous works aim to achieve demographic parity by pursuing the commonly used metric $\Delta DP$. Unfortunately, in this paper, we reveal that the fairness metric $\Delta DP$ can not precisely measure the violation of demographic parity, because it inherently has the following drawbacks: \textit{i)} zero-value $\Delta DP$ does not guarantee zero violation of demographic parity, \textit{ii)} $\Delta DP$ values can vary with different classification thresholds. To this end, we propose two new fairness metrics, \textsf{A}rea \textsf{B}etween \textsf{P}robability density function \textsf{C}urves (\textsf{ABPC}) and \textsf{A}rea \textsf{B}etween \textsf{C}umulative density function \textsf{C}urves (\textsf{ABCC}), to precisely measure the violation of demographic parity in distribution level. The new fairness metrics directly measure the difference between the distributions of the prediction probability for different demographic groups. Thus our proposed new metrics enjoy: \textit{i)} zero-value \textsf{ABCC}/\textsf{ABPC} guarantees zero violation of demographic parity; \textit{ii)} \textsf{ABCC}/\textsf{ABPC} guarantees demographic parity while the classification threshold adjusted. We further re-evaluate the existing fair models with our proposed fairness metrics and observe different fairness behaviors of those models under the new metrics.

We study a recommender system for quantum data using the linear contextual bandit framework. In each round, a learner receives an observable (the context) and has to recommend from a finite set of unknown quantum states (the actions) which one to measure. The learner has the goal of maximizing the reward in each round, that is the outcome of the measurement on the unknown state. Using this model we formulate the low energy quantum state recommendation problem where the context is a Hamiltonian and the goal is to recommend the state with the lowest energy. For this task, we study two families of contexts: the Ising model and a generalized cluster model. We observe that if we interpret the actions as different phases of the models then the recommendation is done by classifying the correct phase of the given Hamiltonian and the strategy can be interpreted as an online quantum phase classifier.

We introduce a joint diffusion model that simultaneously learns meaningful internal representations fit for both generative and predictive tasks. Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the usefulness of internal representations built by contemporary deep diffusion-based generative models in both generative and predictive settings. We then introduce an extension of the vanilla diffusion model with a classifier that allows for stable joint training with shared parametrization between those objectives. The resulting joint diffusion model offers superior performance across various tasks, including generative modeling, semi-supervised classification, and domain adaptation.

Accurately clustering high-dimensional measurements is vital for adequately analyzing scientific data. Deep learning machinery has remarkably improved clustering capabilities in recent years due to its ability to extract meaningful representations. In this work, we are given unlabeled samples from multiple source domains, and we aim to learn a shared classifier that assigns the examples to various clusters. Evaluation is done by using the classifier for predicting cluster assignments in a previously unseen domain. This setting generalizes the problem of unsupervised domain generalization to the case in which no supervised learning samples are given (completely unsupervised). Towards this goal, we present an end-to-end model and evaluate its capabilities on several multi-domain image datasets. Specifically, we demonstrate that our model is more accurate than schemes that require fine-tuning using samples from the target domain or some level of supervision.

Root Cause Analysis (RCA) plays an indispensable role in distributed data system maintenance and operations, as it bridges the gap between fault detection and system recovery. Existing works mainly study multidimensional localization or graph-based root cause localization. This paper opens up the possibilities of exploiting the recently developed framework of explainable AI (XAI) for the purpose of RCA. In particular, we propose BALANCE (BAyesian Linear AttributioN for root CausE localization), which formulates the problem of RCA through the lens of attribution in XAI and seeks to explain the anomalies in the target KPIs by the behavior of the candidate root causes. BALANCE consists of three innovative components. First, we propose a Bayesian multicollinear feature selection (BMFS) model to predict the target KPIs given the candidate root causes in a forward manner while promoting sparsity and concurrently paying attention to the correlation between the candidate root causes. Second, we introduce attribution analysis to compute the attribution score for each candidate in a backward manner. Third, we merge the estimated root causes related to each KPI if there are multiple KPIs. We extensively evaluate the proposed BALANCE method on one synthesis dataset as well as three real-world RCA tasks, that is, bad SQL localization, container fault localization, and fault type diagnosis for Exathlon. Results show that BALANCE outperforms the state-of-the-art (SOTA) methods in terms of accuracy with the least amount of running time, and achieves at least $6\%$ notably higher accuracy than SOTA methods for real tasks. BALANCE has been deployed to production to tackle real-world RCA problems, and the online results further advocate its usage for real-time diagnosis in distributed data systems.

Hard negative mining has shown effective in enhancing self-supervised contrastive learning (CL) on diverse data types, including graph contrastive learning (GCL). Existing hardness-aware CL methods typically treat negative instances that are most similar to the anchor instance as hard negatives, which helps improve the CL performance, especially on image data. However, this approach often fails to identify the hard negatives but leads to many false negatives on graph data. This is mainly due to that the learned graph representations are not sufficiently discriminative due to over-smooth representations and/or non-i.i.d. issues in graph data. To tackle this problem, this paper proposes a novel approach that builds a discriminative model on collective affinity information (i.e, two sets of pairwise affinities between the negative instances and the anchor instance) to mine hard negatives in GCL. In particular, the proposed approach evaluates how confident/uncertain the discriminative model is about the affinity of each negative instance to an anchor instance to determine its hardness weight relative to the anchor instance. This uncertainty information is then incorporated into existing GCL loss functions via a weighting term to enhance their performance. The enhanced GCL is theoretically grounded that the resulting GCL loss is equivalent to a triplet loss with an adaptive margin being exponentially proportional to the learned uncertainty of each negative instance. Extensive experiments on 10 graph datasets show that our approach i) consistently enhances different state-of-the-art GCL methods in both graph and node classification tasks, and ii) significantly improves their robustness against adversarial attacks.

Context and motivation: The development and operation of critical software that contains machine learning (ML) models requires diligence and established processes. Especially the training data used during the development of ML models have major influences on the later behaviour of the system. Runtime monitors are used to provide guarantees for that behaviour. Question / problem: We see major uncertainty in how to specify training data and runtime monitoring for critical ML models and by this specifying the final functionality of the system. In this interview-based study we investigate the underlying challenges for these difficulties. Principal ideas/results: Based on ten interviews with practitioners who develop ML models for critical applications in the automotive and telecommunication sector, we identified 17 underlying challenges in 6 challenge groups that relate to the challenge of specifying training data and runtime monitoring. Contribution: The article provides a list of the identified underlying challenges related to the difficulties practitioners experience when specifying training data and runtime monitoring for ML models. Furthermore, interconnection between the challenges were found and based on these connections recommendation proposed to overcome the root causes for the challenges.

Many real-time applications (e.g., Augmented/Virtual Reality, cognitive assistance) rely on Deep Neural Networks (DNNs) to process inference tasks. Edge computing is considered a key infrastructure to deploy such applications, as moving computation close to the data sources enables us to meet stringent latency and throughput requirements. However, the constrained nature of edge networks poses several additional challenges to the management of inference workloads: edge clusters can not provide unlimited processing power to DNN models, and often a trade-off between network and processing time should be considered when it comes to end-to-end delay requirements. In this paper, we focus on the problem of scheduling inference queries on DNN models in edge networks at short timescales (i.e., few milliseconds). By means of simulations, we analyze several policies in the realistic network settings and workloads of a large ISP, highlighting the need for a dynamic scheduling policy that can adapt to network conditions and workloads. We therefore design ASET, a Reinforcement Learning based scheduling algorithm able to adapt its decisions according to the system conditions. Our results show that ASET effectively provides the best performance compared to static policies when scheduling over a distributed pool of edge resources.

In many practical settings, a combinatorial problem must be repeatedly solved with similar, but distinct parameters w. Yet, w is not directly observed; only contextual data d that correlates with w is available. It is tempting to use a neural network to predict w given d, but training such a model requires reconciling the discrete nature of combinatorial optimization with the gradient-based frameworks used to train neural networks. One approach to overcoming this issue is to consider a continuous relaxation of the combinatorial problem. While existing such approaches have shown to be highly effective on small problems (10-100 variables) they do not scale well to large problems. In this work, we show how recent results in operator splitting can be used to design such a system which is easy to train and scales effortlessly to problems with thousands of variables.

In this work we study the robustness to adversarial attacks, of early-stopping strategies on gradient-descent (GD) methods for linear regression. More precisely, we show that early-stopped GD is optimally robust (up to an absolute constant) against Euclidean-norm adversarial attacks. However, we show that this strategy can be arbitrarily sub-optimal in the case of general Mahalanobis attacks. This observation is compatible with recent findings in the case of classification~\cite{Vardi2022GradientMP} that show that GD provably converges to non-robust models. To alleviate this issue, we propose to apply instead a GD scheme on a transformation of the data adapted to the attack. This data transformation amounts to apply feature-depending learning rates and we show that this modified GD is able to handle any Mahalanobis attack, as well as more general attacks under some conditions. Unfortunately, choosing such adapted transformations can be hard for general attacks. To the rescue, we design a simple and tractable estimator whose adversarial risk is optimal up to within a multiplicative constant of 1.1124 in the population regime, and works for any norm.

Force Sensing and Force Control are essential to many industrial applications. Typically, a 6-axis Force/Torque (F/T) sensor is mounted between the robot's wrist and the end-effector in order to measure the forces and torques exerted by the environment onto the robot (the external wrench). Although a typical 6-axis F/T sensor can provide highly accurate measurements, it is expensive and vulnerable to drift and external impacts. Existing methods aiming at estimating the external wrench using only the robot's internal signals are limited in scope: for example, wrench estimation accuracy was mostly validated in free-space motions and simple contacts as opposed to tasks like assembly that require high-precision force control. Here we present a Neural Network based method and argue that by devoting particular attention to the training data structure, it is possible to accurately estimate the external wrench in a wide range of scenarios based solely on internal signals. As an illustration, we demonstrate a pin insertion experiment with 100-micron clearance and a hand-guiding experiment, both performed without external F/T sensors or joint torque sensors. Our result opens the possibility of equipping the existing 2.7 million industrial robots with Force Sensing and Force Control capabilities without any additional hardware.

When training deep neural networks, keeping all tensors in high precision (e.g., 32-bit or even 16-bit floats) is often wasteful. However, keeping all tensors in low precision (e.g., 8-bit floats) can lead to unacceptable accuracy loss. Hence, it is important to use a precision assignment -- a mapping from all tensors (arising in training) to precision levels (high or low) -- that keeps most of the tensors in low precision and leads to sufficiently accurate models. We provide a technique that explores this memory-accuracy tradeoff by generating precision assignments that (i) use less memory and (ii) lead to more accurate models at the same time, compared to the precision assignments considered by prior work in low-precision floating-point training. Our method typically provides > 2x memory reduction over a baseline precision assignment while preserving training accuracy, and gives further reductions by trading off accuracy. Compared to other baselines which sometimes cause training to diverge, our method provides similar or better memory reduction while avoiding divergence.

Model Predictive Control (MPC) is attracting tremendous attention in the autonomous driving task as a powerful control technique. The success of an MPC controller strongly depends on an accurate internal dynamics model. However, the static parameters, usually learned by system identification, often fail to adapt to both internal and external perturbations in real-world scenarios. In this paper, we firstly (1) reformulate the problem as a Partially Observed Markov Decision Process (POMDP) that absorbs the uncertainties into observations and maintains Markov property into hidden states; and (2) learn a recurrent policy continually adapting the parameters of the dynamics model via Recurrent Reinforcement Learning (RRL) for optimal and adaptive control; and (3) finally evaluate the proposed algorithm (referred as $\textit{MPC-RRL}$) in CARLA simulator and leading to robust behaviours under a wide range of perturbations.

Population-wise matching of the cortical fold is necessary to identify biomarkers of neurological or psychiatric disorders. The difficulty comes from the massive interindividual variations in the morphology and spatial organization of the folds. This task is challenging at both methodological and conceptual levels. In the widely used registration-based techniques, these variations are considered as noise and the matching of folds is only implicit. Alternative approaches are based on the extraction and explicit identification of the cortical folds. In particular, representing cortical folding patterns as graphs of sulcal basins-termed sulcal graphs-enables to formalize the task as a graph-matching problem. In this paper, we propose to address the problem of sulcal graph matching directly at the population level using multi-graph matching techniques. First, we motivate the relevance of multi-graph matching framework in this context. We then introduce a procedure to generate populations of artificial sulcal graphs, which allows us benchmarking several state of the art multi-graph matching methods. Our results on both artificial and real data demonstrate the effectiveness of multi-graph matching techniques to obtain a population-wise consistent labeling of cortical folds at the sulcal basins level.

As a prevalent problem in online advertising, CTR prediction has attracted plentiful attention from both academia and industry. Recent studies have been reported to establish CTR prediction models in the graph neural networks (GNNs) framework. However, most of GNNs-based models handle feature interactions in a complete graph, while ignoring causal relationships among features, which results in a huge drop in the performance on out-of-distribution data. This paper is dedicated to developing a causality-based CTR prediction model in the GNNs framework (Causal-GNN) integrating representations of feature graph, user graph and ad graph in the context of online advertising. In our model, a structured representation learning method (GraphFwFM) is designed to capture high-order representations on feature graph based on causal discovery among field features in gated graph neural networks (GGNNs), and GraphSAGE is employed to obtain graph representations of users and ads. Experiments conducted on three public datasets demonstrate the superiority of Causal-GNN in AUC and Logloss and the effectiveness of GraphFwFM in capturing high-order representations on causal feature graph.

A recent advancement in the domain of biomedical Entity Linking is the development of powerful two-stage algorithms, an initial candidate retrieval stage that generates a shortlist of entities for each mention, followed by a candidate ranking stage. However, the effectiveness of both stages are inextricably dependent on computationally expensive components. Specifically, in candidate retrieval via dense representation retrieval it is important to have hard negative samples, which require repeated forward passes and nearest neighbour searches across the entire entity label set throughout training. In this work, we show that pairing a proxy-based metric learning loss with an adversarial regularizer provides an efficient alternative to hard negative sampling in the candidate retrieval stage. In particular, we show competitive performance on the recall@1 metric, thereby providing the option to leave out the expensive candidate ranking step. Finally, we demonstrate how the model can be used in a zero-shot setting to discover out of knowledge base biomedical entities.

We investigate the problem of stochastic, combinatorial multi-armed bandits where the learner only has access to bandit feedback and the reward function can be non-linear. We provide a general framework for adapting discrete offline approximation algorithms into sublinear $\alpha$-regret methods that only require bandit feedback, achieving $\mathcal{O}\left(T^\frac{2}{3}\log(T)^\frac{1}{3}\right)$ expected cumulative $\alpha$-regret dependence on the horizon $T$. The framework only requires the offline algorithms to be robust to small errors in function evaluation. The adaptation procedure does not even require explicit knowledge of the offline approximation algorithm -- the offline algorithm can be used as black box subroutine. To demonstrate the utility of the proposed framework, the proposed framework is applied to multiple problems in submodular maximization, adapting approximation algorithms for cardinality and for knapsack constraints. The new CMAB algorithms for knapsack constraints outperform a full-bandit method developed for the adversarial setting in experiments with real-world data.

Recent work has shown that automatic differentiation over the reals is almost always correct in a mathematically precise sense. However, actual programs work with machine-representable numbers (e.g., floating-point numbers), not reals. In this paper, we study the correctness of automatic differentiation when the parameter space of a neural network consists solely of machine-representable numbers. For a neural network with bias parameters, we prove that automatic differentiation is correct at all parameters where the network is differentiable. In contrast, it is incorrect at all parameters where the network is non-differentiable, since it never informs non-differentiability. To better understand this non-differentiable set of parameters, we prove a tight bound on its size, which is linear in the number of non-differentiabilities in activation functions, and provide a simple necessary and sufficient condition for a parameter to be in this set. We further prove that automatic differentiation always computes a Clarke subderivative, even on the non-differentiable set. We also extend these results to neural networks possibly without bias parameters.

Self-distillation (SD) is the process of first training a \enquote{teacher} model and then using its predictions to train a \enquote{student} model with the \textit{same} architecture. Specifically, the student's objective function is $\big(\xi*\ell(\text{teacher's predictions}, \text{ student's predictions}) + (1-\xi)*\ell(\text{given labels}, \text{ student's predictions})\big)$, where $\ell$ is some loss function and $\xi$ is some parameter $\in [0,1]$. Empirically, SD has been observed to provide performance gains in several settings. In this paper, we theoretically characterize the effect of SD in two supervised learning problems with \textit{noisy labels}. We first analyze SD for regularized linear regression and show that in the high label noise regime, the optimal value of $\xi$ that minimizes the expected error in estimating the ground truth parameter is surprisingly greater than 1. Empirically, we show that $\xi > 1$ works better than $\xi \leq 1$ even with the cross-entropy loss for several classification datasets when 50\% or 30\% of the labels are corrupted. Further, we quantify when optimal SD is better than optimal regularization. Next, we analyze SD in the case of logistic regression for binary classification with random label corruption and quantify the range of label corruption in which the student outperforms the teacher in terms of accuracy. To our knowledge, this is the first result of its kind for the cross-entropy loss.

Modeling spatiotemporal dynamical systems is a fundamental challenge in machine learning. Transformer models have been very successful in NLP and computer vision where they provide interpretable representations of data. However, a limitation of transformers in modeling continuous dynamical systems is that they are fundamentally discrete time and space models and thus have no guarantees regarding continuous sampling. To address this challenge, we present the Continuous Spatiotemporal Transformer (CST), a new transformer architecture that is designed for the modeling of continuous systems. This new framework guarantees a continuous and smooth output via optimization in Sobolev space. We benchmark CST against traditional transformers as well as other spatiotemporal dynamics modeling methods and achieve superior performance in a number of tasks on synthetic and real systems, including learning brain dynamics from calcium imaging data.

A core task in precision agriculture is the identification of climatic and ecological conditions that are advantageous for a given crop. The most succinct approach is geolocation, which is concerned with locating the native region of a given sample based on its genetic makeup. Here, we investigate genomic geolocation of Populus trichocarpa, or poplar, which has been identified by the US Department of Energy as a fast-rotation biofuel crop to be harvested nationwide. In particular, we approach geolocation from a reference-free perspective, circumventing the need for compute-intensive processes such as variant calling and alignment. Our model, MashNet, predicts latitude and longitude for poplar trees from randomly-sampled, unaligned sequence fragments. We show that our model performs comparably to Locator, a state-of-the-art method based on aligned whole-genome sequence data. MashNet achieves an error of 34.0 km^2 compared to Locator's 22.1 km^2. MashNet allows growers to quickly and efficiently identify natural varieties that will be most productive in their growth environment based on genotype. This paper explores geolocation for precision agriculture while providing a framework and data source for further development by the machine learning community.

In combinatorial causal bandits (CCB), the learning agent chooses a subset of variables in each round to intervene and collects feedback from the observed variables to minimize expected regret or sample complexity. Previous works study this problem in both general causal models and binary generalized linear models (BGLMs). However, all of them require prior knowledge of causal graph structure. This paper studies the CCB problem without the graph structure on binary general causal models and BGLMs. We first provide an exponential lower bound of cumulative regrets for the CCB problem on general causal models. To overcome the exponentially large space of parameters, we then consider the CCB problem on BGLMs. We design a regret minimization algorithm for BGLMs even without the graph skeleton and show that it still achieves $O(\sqrt{T}\ln T)$ expected regret. This asymptotic regret is the same as the state-of-art algorithms relying on the graph structure. Moreover, we sacrifice the regret to $O(T^{\frac{2}{3}}\ln T)$ to remove the weight gap covered by the asymptotic notation. At last, we give some discussions and algorithms for pure exploration of the CCB problem without the graph structure.

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.

Recent work has shown that, in generative modeling, cross-entropy loss improves smoothly with model size and training compute, following a power law plus constant scaling law. One challenge in extending these results to reinforcement learning is that the main performance objective of interest, mean episode return, need not vary smoothly. To overcome this, we introduce *intrinsic performance*, a monotonic function of the return defined as the minimum compute required to achieve the given return across a family of models of different sizes. We find that, across a range of environments, intrinsic performance scales as a power law in model size and environment interactions. Consequently, as in generative modeling, the optimal model size scales as a power law in the training compute budget. Furthermore, we study how this relationship varies with the environment and with other properties of the training setup. In particular, using a toy MNIST-based environment, we show that varying the "horizon length" of the task mostly changes the coefficient but not the exponent of this relationship.

Multi-task learning (MTL) aims at solving multiple related tasks simultaneously and has experienced rapid growth in recent years. However, MTL models often suffer from performance degeneration with negative transfer due to learning several tasks simultaneously. Some related work attributed the source of the problem is the conflicting gradients. In this case, it is needed to select useful gradient updates for all tasks carefully. To this end, we propose a novel optimization approach for MTL, named GDOD, which manipulates gradients of each task using an orthogonal basis decomposed from the span of all task gradients. GDOD decomposes gradients into task-shared and task-conflict components explicitly and adopts a general update rule for avoiding interference across all task gradients. This allows guiding the update directions depending on the task-shared components. Moreover, we prove the convergence of GDOD theoretically under both convex and non-convex assumptions. Experiment results on several multi-task datasets not only demonstrate the significant improvement of GDOD performed to existing MTL models but also prove that our algorithm outperforms state-of-the-art optimization methods in terms of AUC and Logloss metrics.

Evaluating the performance of machine learning models under distribution shift is challenging, especially when we only have unlabeled data from the shifted (target) domain, along with labeled data from the original (source) domain. Recent work suggests that the notion of disagreement, the degree to which two models trained with different randomness differ on the same input, is a key to tackle this problem. Experimentally, disagreement and prediction error have been shown to be strongly connected, which has been used to estimate model performance. Experiments have lead to the discovery of the disagreement-on-the-line phenomenon, whereby the classification error under the target domain is often a linear function of the classification error under the source domain; and whenever this property holds, disagreement under the source and target domain follow the same linear relation. In this work, we develop a theoretical foundation for analyzing disagreement in high-dimensional random features regression; and study under what conditions the disagreement-on-the-line phenomenon occurs in our setting. Experiments on CIFAR-10-C, Tiny ImageNet-C, and Camelyon17 are consistent with our theory and support the universality of the theoretical findings.

We introduce a quantization-aware training algorithm that guarantees avoiding numerical overflow when reducing the precision of accumulators during inference. We leverage weight normalization as a means of constraining parameters during training using accumulator bit width bounds that we derive. We evaluate our algorithm across multiple quantized models that we train for different tasks, showing that our approach can reduce the precision of accumulators while maintaining model accuracy with respect to a floating-point baseline. We then show that this reduction translates to increased design efficiency for custom FPGA-based accelerators. Finally, we show that our algorithm not only constrains weights to fit into an accumulator of user-defined bit width, but also increases the sparsity and compressibility of the resulting weights. Across all of our benchmark models trained with 8-bit weights and activations, we observe that constraining the hidden layers of quantized neural networks to fit into 16-bit accumulators yields an average 98.2% sparsity with an estimated compression rate of 46.5x all while maintaining 99.2% of the floating-point performance.

Polar codes are widely used state-of-the-art codes for reliable communication that have recently been included in the 5th generation wireless standards (5G). However, there remains room for the design of polar decoders that are both efficient and reliable in the short blocklength regime. Motivated by recent successes of data-driven channel decoders, we introduce a novel $\textbf{C}$ur$\textbf{RI}$culum based $\textbf{S}$equential neural decoder for $\textbf{P}$olar codes (CRISP). We design a principled curriculum, guided by information-theoretic insights, to train CRISP and show that it outperforms the successive-cancellation (SC) decoder and attains near-optimal reliability performance on the Polar(32,16) and Polar(64,22) codes. The choice of the proposed curriculum is critical in achieving the accuracy gains of CRISP, as we show by comparing against other curricula. More notably, CRISP can be readily extended to Polarization-Adjusted-Convolutional (PAC) codes, where existing SC decoders are significantly less reliable. To the best of our knowledge, CRISP constructs the first data-driven decoder for PAC codes and attains near-optimal performance on the PAC(32,16) code.

We study a game between autobidding algorithms that compete in an online advertising platform. Each autobidder is tasked with maximizing its advertiser's total value over multiple rounds of a repeated auction, subject to budget and/or return-on-investment constraints. We propose a gradient-based learning algorithm that is guaranteed to satisfy all constraints and achieves vanishing individual regret. Our algorithm uses only bandit feedback and can be used with the first- or second-price auction, as well as with any "intermediate" auction format. Our main result is that when these autobidders play against each other, the resulting expected liquid welfare over all rounds is at least half of the expected optimal liquid welfare achieved by any allocation. This holds whether or not the bidding dynamics converges to an equilibrium and regardless of the correlation structure between advertiser valuations.

With the development of gene sequencing technology, an explosive growth of gene data has been witnessed. And the storage of gene data has become an important issue. Traditional gene data compression methods rely on general software like G-zip, which fails to utilize the interrelation of nucleotide sequence. Recently, many researchers begin to investigate deep learning based gene data compression method. In this paper, we propose a transformer-based gene compression method named GeneFormer. Specifically, we first introduce a modified transformer structure to fully explore the nucleotide sequence dependency. Then, we propose fixed-length parallel grouping to accelerate the decoding speed of our autoregressive model. Experimental results on real-world datasets show that our method saves 29.7% bit rate compared with the state-of-the-art method, and the decoding speed is significantly faster than all existing learning-based gene compression methods.

The proposed method in this paper is designed to address the problem of time series forecasting. Although some exquisitely designed models achieve excellent prediction performances, how to extract more useful information and make accurate predictions is still an open issue. Most of modern models only focus on a short range of information, which are fatal for problems such as time series forecasting which needs to capture long-term information characteristics. As a result, the main concern of this work is to further mine relationship between local and global information contained in time series to produce more precise predictions. In this paper, to satisfactorily realize the purpose, we make three main contributions that are experimentally verified to have performance advantages. Firstly, original time series is transformed into difference sequence which serves as input to the proposed model. And secondly, we introduce the global atrous sliding window into the forecasting model which references the concept of fuzzy time series to associate relevant global information with temporal data within a time period and utilizes central-bidirectional atrous algorithm to capture underlying-related features to ensure validity and consistency of captured data. Thirdly, a variation of widely-used asymmetric convolution which is called semi-asymmetric convolution is devised to more flexibly extract relationships in adjacent elements and corresponding associated global features with adjustable ranges of convolution on vertical and horizontal directions. The proposed model in this paper achieves state-of-the-art on most of time series datasets provided compared with competitive modern models.

We propose an efficient method to ground pretrained text-only language models to the visual domain, enabling them to process and generate arbitrarily interleaved image-and-text data. Our method leverages the abilities of language models learnt from large scale text-only pretraining, such as in-context learning and free-form text generation. We keep the language model frozen, and finetune input and output linear layers to enable cross-modality interactions. This allows our model to process arbitrarily interleaved image-and-text inputs, and generate free-form text interleaved with retrieved images. We achieve strong zero-shot performance on grounded tasks such as contextual image retrieval and multimodal dialogue, and showcase compelling interactive abilities. Our approach works with any off-the-shelf language model and paves the way towards an effective, general solution for leveraging pretrained language models in visually grounded settings.

The paper presents a novel methodology to build surrogate models of complicated functions by an active learning-based sequential decomposition of the input random space and construction of localized polynomial chaos expansions, referred to as domain adaptive localized polynomial chaos expansion (DAL-PCE). The approach utilizes sequential decomposition of the input random space into smaller sub-domains approximated by low-order polynomial expansions. This allows approximation of functions with strong nonlinearties, discontinuities, and/or singularities. Decomposition of the input random space and local approximations alleviates the Gibbs phenomenon for these types of problems and confines error to a very small vicinity near the non-linearity. The global behavior of the surrogate model is therefore significantly better than existing methods as shown in numerical examples. The whole process is driven by an active learning routine that uses the recently proposed $\Theta$ criterion to assess local variance contributions. The proposed approach balances both \emph{exploitation} of the surrogate model and \emph{exploration} of the input random space and thus leads to efficient and accurate approximation of the original mathematical model. The numerical results show the superiority of the DAL-PCE in comparison to (i) a single global polynomial chaos expansion and (ii) the recently proposed stochastic spectral embedding (SSE) method developed as an accurate surrogate model and which is based on a similar domain decomposition process. This method represents general framework upon which further extensions and refinements can be based, and which can be combined with any technique for non-intrusive polynomial chaos expansion construction.

The continuous computational power growth in the last decades has made solving several optimization problems significant to humankind a tractable task; however, tackling some of them remains a challenge due to the overwhelming amount of candidate solutions to be evaluated, even by using sophisticated algorithms. In such a context, a set of nature-inspired stochastic methods, called meta-heuristic optimization, can provide robust approximate solutions to different kinds of problems with a small computational burden, such as derivative-free real function optimization. Nevertheless, these methods may converge to inadequate solutions if the function landscape is too harsh, e.g., enclosing too many local optima. Previous works addressed this issue by employing a hypercomplex representation of the search space, like quaternions, where the landscape becomes smoother and supposedly easier to optimize. Under this approach, meta-heuristic computations happen in the hypercomplex space, whereas variables are mapped back to the real domain before function evaluation. Despite this latter operation being performed by the Euclidean norm, we have found that after the optimization procedure has finished, it is usually possible to obtain even better solutions by employing the Minkowski $p$-norm instead and fine-tuning $p$ through an auxiliary sub-problem with neglecting additional cost and no hyperparameters. Such behavior was observed in eight well-established benchmarking functions, thus fostering a new research direction for hypercomplex meta-heuristic optimization.

We propose a 2-WL-like geometric graph isomorphism test and prove it is complete when applied to Euclidean Graphs in $\mathbb{R}^3$. We then use recent results on multiset embeddings to devise an efficient geometric GNN model with equivalent separation power. We verify empirically that our GNN model is able to separate particularly challenging synthetic examples, and demonstrate its usefulness for a chemical property prediction problem.

Archetypal analysis is a matrix factorization method with convexity constraints. Due to local minima, a good initialization is essential. Frequently used initialization methods yield either sub-optimal starting points or are prone to get stuck in poor local minima. In this paper, we propose archetypal analysis++ (AA++), a probabilistic initialization strategy for archetypal analysis that sequentially samples points based on their influence on the objective, similar to $k$-means++. In fact, we argue that $k$-means++ already approximates the proposed initialization method. Furthermore, we suggest to adapt an efficient Monte Carlo approximation of $k$-means++ to AA++. In an extensive empirical evaluation of 13 real-world data sets of varying sizes and dimensionalities and considering two pre-processing strategies, we show that AA++ almost consistently outperforms all baselines, including the most frequently used ones.

Tuberculosis (TB) is still considered a leading cause of death and a substantial threat to global child health. Both TB infection and disease are curable using antibiotics. However, most children who die of TB are never diagnosed or treated. In clinical practice, experienced physicians assess TB by examining chest X-rays (CXR). Pediatric CXR has specific challenges compared to adult CXR, which makes TB diagnosis in children more difficult. Computer-aided diagnosis systems supported by Artificial Intelligence have shown performance comparable to experienced radiologist TB readings, which could ease mass TB screening and reduce clinical burden. We propose a multi-view deep learning-based solution which, by following a proposed template, aims to automatically regionalize and extract lung and mediastinal regions of interest from pediatric CXR images where key TB findings may be present. Experimental results have shown accurate region extraction, which can be used for further analysis to confirm TB finding presence and severity assessment. Code publicly available at https://github.com/dani-capellan/pTB_LungRegionExtractor.

We present an efficient robust value iteration for \texttt{s}-rectangular robust Markov Decision Processes (MDPs) with a time complexity comparable to standard (non-robust) MDPs which is significantly faster than any existing method. We do so by deriving the optimal robust Bellman operator in concrete forms using our $L_p$ water filling lemma. We unveil the exact form of the optimal policies, which turn out to be novel threshold policies with the probability of playing an action proportional to its advantage.

Purpose: Automated distinct bone segmentation from CT scans is widely used in planning and navigation workflows. U-Net variants are known to provide excellent results in supervised semantic segmentation. However, in distinct bone segmentation from upper body CTs a large field of view and a computationally taxing 3D architecture are required. This leads to low-resolution results lacking detail or localisation errors due to missing spatial context when using high-resolution inputs. Methods: We propose to solve this problem by using end-to-end trainable segmentation networks that combine several 3D U-Nets working at different resolutions. Our approach, which extends and generalizes HookNet and MRN, captures spatial information at a lower resolution and skips the encoded information to the target network, which operates on smaller high-resolution inputs. We evaluated our proposed architecture against single resolution networks and performed an ablation study on information concatenation and the number of context networks. Results: Our proposed best network achieves a median DSC of 0.86 taken over all 125 segmented bone classes and reduces the confusion among similar-looking bones in different locations. These results outperform our previously published 3D U-Net baseline results on the task and distinct-bone segmentation results reported by other groups. Conclusion: The presented multi-resolution 3D U-Nets address current shortcomings in bone segmentation from upper-body CT scans by allowing for capturing a larger field of view while avoiding the cubic growth of the input pixels and intermediate computations that quickly outgrow the computational capacities in 3D. The approach thus improves the accuracy and efficiency of distinct bone segmentation from upper-body CT.

Recent text-to-image generative models have demonstrated an unparalleled ability to generate diverse and creative imagery guided by a target text prompt. While revolutionary, current state-of-the-art diffusion models may still fail in generating images that fully convey the semantics in the given text prompt. We analyze the publicly available Stable Diffusion model and assess the existence of catastrophic neglect, where the model fails to generate one or more of the subjects from the input prompt. Moreover, we find that in some cases the model also fails to correctly bind attributes (e.g., colors) to their corresponding subjects. To help mitigate these failure cases, we introduce the concept of Generative Semantic Nursing (GSN), where we seek to intervene in the generative process on the fly during inference time to improve the faithfulness of the generated images. Using an attention-based formulation of GSN, dubbed Attend-and-Excite, we guide the model to refine the cross-attention units to attend to all subject tokens in the text prompt and strengthen - or excite - their activations, encouraging the model to generate all subjects described in the text prompt. We compare our approach to alternative approaches and demonstrate that it conveys the desired concepts more faithfully across a range of text prompts.

Despite the success of Random Network Distillation (RND) in various domains, it was shown as not discriminative enough to be used as an uncertainty estimator for penalizing out-of-distribution actions in offline reinforcement learning. In this paper, we revisit these results and show that, with a naive choice of conditioning for the RND prior, it becomes infeasible for the actor to effectively minimize the anti-exploration bonus and discriminativity is not an issue. We show that this limitation can be avoided with conditioning based on Feature-wise Linear Modulation (FiLM), resulting in a simple and efficient ensemble-free algorithm based on Soft Actor-Critic. We evaluate it on the D4RL benchmark, showing that it is capable of achieving performance comparable to ensemble-based methods and outperforming ensemble-free approaches by a wide margin.

Real-world data contains a vast amount of multimodal information, among which vision and language are the two most representative modalities. Moreover, increasingly heavier models, e.g., Transformers, have attracted the attention of researchers to model compression. However, how to compress multimodal models, especially vison-language Transformers, is still under-explored. This paper proposes the \textbf{U}nified and \textbf{P}r\textbf{o}gressive \textbf{P}runing (UPop) as a universal vison-language Transformer compression framework, which incorporates 1) unifiedly searching multimodal subnets in a continuous optimization space from the original model, which enables automatic assignment of pruning ratios among compressible modalities and structures; 2) progressively searching and retraining the subnet, which maintains convergence between the search and retrain to attain higher compression ratios. Experiments on multiple generative and discriminative vision-language tasks, including Visual Reasoning, Image Caption, Visual Question Answer, Image-Text Retrieval, Text-Image Retrieval, and Image Classification, demonstrate the effectiveness and versatility of the proposed UPop framework.

We present a deep Graph Convolutional Kernel Machine (GCKM) for semi-supervised node classification in graphs. First, we introduce an unsupervised kernel machine propagating the node features in a one-hop neighbourhood. Then, we specify a semi-supervised classification kernel machine through the lens of the Fenchel-Young inequality. The deep graph convolutional kernel machine is obtained by stacking multiple shallow kernel machines. After showing that unsupervised and semi-supervised layer corresponds to an eigenvalue problem and a linear system on the aggregated node features, respectively, we derive an efficient end-to-end training algorithm in the dual variables. Numerical experiments demonstrate that our approach is competitive with state-of-the-art graph neural networks for homophilious and heterophilious benchmark datasets. Notably, GCKM achieves superior performance when very few labels are available.

Understanding when the noise in stochastic gradient descent (SGD) affects generalization of deep neural networks remains a challenge, complicated by the fact that networks can operate in distinct training regimes. Here we study how the magnitude of this noise $T$ affects performance as the size of the training set $P$ and the scale of initialization $\alpha$ are varied. For gradient descent, $\alpha$ is a key parameter that controls if the network is `lazy' ($\alpha\gg 1$) or instead learns features ($\alpha\ll 1$). For classification of MNIST and CIFAR10 images, our central results are: (i) obtaining phase diagrams for performance in the $(\alpha,T)$ plane. They show that SGD noise can be detrimental or instead useful depending on the training regime. Moreover, although increasing $T$ or decreasing $\alpha$ both allow the net to escape the lazy regime, these changes can have opposite effects on performance. (ii) Most importantly, we find that key dynamical quantities (including the total variations of weights during training) depend on both $T$ and $P$ as power laws, and the characteristic temperature $T_c$, where the noise of SGD starts affecting performance, is a power law of $P$. These observations indicate that a key effect of SGD noise occurs late in training, by affecting the stopping process whereby all data are fitted. We argue that due to SGD noise, nets must develop a stronger `signal', i.e. larger informative weights, to fit the data, leading to a longer training time. The same effect occurs at larger training set $P$. We confirm this view in the perceptron model, where signal and noise can be precisely measured. Interestingly, exponents characterizing the effect of SGD depend on the density of data near the decision boundary, as we explain.

We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of these kernels among the class of weight-independent geometrically-coupled positive random feature (PRF) mechanisms, substantially outperforming the previously most accurate Orthogonal Random Features at no observable extra cost. We present a more computationally expensive SimRFs+ variant, which we prove is asymptotically optimal in the broader family of weight-dependent geometrical coupling schemes (which permit correlations between random vector directions and norms). In extensive empirical studies, we show consistent gains provided by SimRFs in settings including pointwise kernel estimation, nonparametric classification and scalable Transformers.

It is well established that increasing scale in deep transformer networks leads to improved quality and performance. This increase in scale often comes with an increase in compute cost and inference latency. Consequently, research into methods which help realize the benefits of increased scale without leading to an increase in the compute cost becomes important. We introduce Alternating Updates (AltUp), a simple-to-implement method to increase a model's capacity without the computational burden. AltUp enables the widening of the learned representation without increasing the computation time by working on a subblock of the representation at each layer. Our experiments on various transformer models and language tasks demonstrate the consistent effectiveness of alternating updates on a diverse set of benchmarks. Finally, we present extensions of AltUp to the sequence dimension, and demonstrate how AltUp can be synergistically combined with existing approaches, such as Sparse Mixture-of-Experts models, to obtain efficient models with even higher capacity.

We propose a novel Bayesian inference framework for distributed differentially private linear regression. We consider a distributed setting where multiple parties hold parts of the data and share certain summary statistics of their portions in privacy-preserving noise. We develop a novel generative statistical model for privately shared statistics, which exploits a useful distributional relation between the summary statistics of linear regression. Bayesian estimation of the regression coefficients is conducted mainly using Markov chain Monte Carlo algorithms, while we also provide a fast version to perform Bayesian estimation in one iteration. The proposed methods have computational advantages over their competitors. We provide numerical results on both real and simulated data, which demonstrate that the proposed algorithms provide well-rounded estimation and prediction.

We consider the linear contextual multi-class multi-period packing problem~(LMMP) where the goal is to pack items such that the total vector of consumption is below a given budget vector and the total value is as large as possible. We consider the setting where the reward and the consumption vector associated with each action is a class-dependent linear function of the context, and the decision-maker receives bandit feedback. LMMP includes linear contextual bandits with knapsacks and online revenue management as special cases. We establish a new more efficient estimator which guarantees a faster convergence rate, and consequently, a lower regret in such problems. We propose a bandit policy that is a closed-form function of said estimated parameters. When the contexts are non-degenerate, the regret of the proposed policy is sublinear in the context dimension, the number of classes, and the time horizon~$T$ when the budget grows at least as $\sqrt{T}$. We also resolve an open problem posed in Agrawal & Devanur (2016), and extend the result to a multi-class setting. Our numerical experiments clearly demonstrate that the performance of our policy is superior to other benchmarks in the literature.

We present a data-driven modeling and control framework for physics-based building emulators. Our approach comprises: (a) Offline training of differentiable surrogate models that speed up model evaluations, provide cheap gradients, and have good predictive accuracy for the receding horizon in Model Predictive Control (MPC) and (b) Formulating and solving nonlinear building HVAC MPC problems. We extensively verify the modeling and control performance using multiple surrogate models and optimization frameworks for different available test cases in the Building Optimization Testing Framework (BOPTEST). The framework is compatible with other modeling techniques and customizable with different control formulations. The modularity makes the approach future-proof for test cases currently in development for physics-based building emulators and provides a path toward prototyping predictive controllers in large buildings.

Sports video analysis is a widespread research topic. Its applications are very diverse, like events detection during a match, video summary, or fine-grained movement analysis of athletes. As part of the MediaEval 2022 benchmarking initiative, this task aims at detecting and classifying subtle movements from sport videos. We focus on recordings of table tennis matches. Conducted since 2019, this task provides a classification challenge from untrimmed videos recorded under natural conditions with known temporal boundaries for each stroke. Since 2021, the task also provides a stroke detection challenge from unannotated, untrimmed videos. This year, the training, validation, and test sets are enhanced to ensure that all strokes are represented in each dataset. The dataset is now similar to the one used in [1, 2]. This research is intended to build tools for coaches and athletes who want to further evaluate their sport performances.

The utilization of programming language (PL) models, pretrained on large-scale code corpora, as a means of automating software engineering processes has demonstrated considerable potential in streamlining various code generation tasks such as code completion, code translation, and program synthesis. However, current approaches mainly rely on supervised fine-tuning objectives borrowed from text generation, neglecting specific sequence-level features of code, including but not limited to compilability as well as syntactic and functional correctness. To address this limitation, we propose PPOCoder, a new framework for code generation that combines pretrained PL models with Proximal Policy Optimization (PPO) deep reinforcement learning and employs execution feedback as the external source of knowledge into the model optimization. PPOCoder is transferable across different code generation tasks and PLs. Extensive experiments on three code generation tasks demonstrate the effectiveness of our proposed approach compared to SOTA methods, improving the success rate of compilation and functional correctness over different PLs. Our code can be found at https://github.com/reddy-lab-code-research/PPOCoder .

ChatGPT has demonstrated exceptional proficiency in natural language conversation, e.g., it can answer a wide range of questions while no previous large language models can. Thus, we would like to push its limit and explore its ability to answer causal discovery questions by using a medical benchmark (Tu et al. 2019) in causal discovery.

Despite various breakthroughs in machine learning and data analysis techniques for improving smart operation and management of urban water infrastructures, some key limitations obstruct this progress. Among these shortcomings, the absence of freely available data due to data privacy or high costs of data gathering and the nonexistence of adequate rare or extreme events in the available data plays a crucial role. Here, Generative Adversarial Networks (GANs) can help overcome these challenges. In machine learning, generative models are a class of methods capable of learning data distribution to generate artificial data. In this study, we developed a GAN model to generate synthetic time series to balance our limited recorded time series data and improve the accuracy of a data-driven model for combined sewer flow prediction. We considered the sewer system of a small town in Germany as the test case. Precipitation and inflow to the storage tanks are used for the Data-Driven model development. The aim is to predict the flow using precipitation data and examine the impact of data augmentation using synthetic data in model performance. Results show that GAN can successfully generate synthetic time series from real data distribution, which helps more accurate peak flow prediction. However, the model without data augmentation works better for dry weather prediction. Therefore, an ensemble model is suggested to combine the advantages of both models.

Monte Carlo (MC) methods are the most widely used methods to estimate the performance of a policy. Given an interested policy, MC methods give estimates by repeatedly running this policy to collect samples and taking the average of the outcomes. Samples collected during this process are called online samples. To get an accurate estimate, MC methods consume massive online samples. When online samples are expensive, e.g., online recommendations and inventory management, we want to reduce the number of online samples while achieving the same estimate accuracy. To this end, we use off-policy MC methods that evaluate the interested policy by running a different policy called behavior policy. We design a tailored behavior policy such that the variance of the off-policy MC estimator is provably smaller than the ordinary MC estimator. Importantly, this tailored behavior policy can be efficiently learned from existing offline data, i,e., previously logged data, which are much cheaper than online samples. With reduced variance, our off-policy MC method requires fewer online samples to evaluate the performance of a policy compared with the ordinary MC method. Moreover, our off-policy MC estimator is always unbiased.

Deep visual models have widespread applications in high-stake domains. Hence, their black-box nature is currently attracting a large interest of the research community. We present the first survey in Explainable AI that focuses on the methods and metrics for interpreting deep visual models. Covering the landmark contributions along the state-of-the-art, we not only provide a taxonomic organization of the existing techniques, but also excavate a range of evaluation metrics and collate them as measures of different properties of model explanations. Along the insightful discussion on the current trends, we also discuss the challenges and future avenues for this research direction.

Recently, deep metric learning techniques received attention, as the learned distance representations are useful to capture the similarity relationship among samples and further improve the performance of various of supervised or unsupervised learning tasks. We propose a novel supervised metric learning method that can learn the distance metrics in both geometric and probabilistic space for image recognition. In contrast to the previous metric learning methods which usually focus on learning the distance metrics in Euclidean space, our proposed method is able to learn better distance representation in a hybrid approach. To achieve this, we proposed a Generalized Hybrid Metric Loss (GHM-Loss) to learn the general hybrid proximity features from the image data by controlling the trade-off between geometric proximity and probabilistic proximity. To evaluate the effectiveness of our method, we first provide theoretical derivations and proofs of the proposed loss function, then we perform extensive experiments on two public datasets to show the advantage of our method compared to other state-of-the-art metric learning methods.

Turbulence is characterised by chaotic dynamics and a high-dimensional state space, which make the phenomenon challenging to predict. However, turbulent flows are often characterised by coherent spatiotemporal structures, such as vortices or large-scale modes, which can help obtain a latent description of turbulent flows. However, current approaches are often limited by either the need to use some form of thresholding on quantities defining the isosurfaces to which the flow structures are associated or the linearity of traditional modal flow decomposition approaches, such as those based on proper orthogonal decomposition. This problem is exacerbated in flows that exhibit extreme events, which are rare and sudden changes in a turbulent state. The goal of this paper is to obtain an efficient and accurate reduced-order latent representation of a turbulent flow that exhibits extreme events. Specifically, we employ a three-dimensional multiscale convolutional autoencoder (CAE) to obtain such latent representation. We apply it to a three-dimensional turbulent flow. We show that the Multiscale CAE is efficient, requiring less than 10% degrees of freedom than proper orthogonal decomposition for compressing the data and is able to accurately reconstruct flow states related to extreme events. The proposed deep learning architecture opens opportunities for nonlinear reduced-order modeling of turbulent flows from data.

Recent work has shown that Large Language Models (LLMs) can be incredibly effective for offline reinforcement learning (RL) by representing the traditional RL problem as a sequence modelling problem (Chen et al., 2021; Janner et al., 2021). However many of these methods only optimize for high returns, and may not extract much information from a diverse dataset of trajectories. Generalized Decision Transformers (GDTs) (Furuta et al., 2021) have shown that utilizing future trajectory information, in the form of information statistics, can help extract more information from offline trajectory data. Building upon this, we propose Skill Decision Transformer (Skill DT). Skill DT draws inspiration from hindsight relabelling (Andrychowicz et al., 2017) and skill discovery methods to discover a diverse set of primitive behaviors, or skills. We show that Skill DT can not only perform offline state-marginal matching (SMM), but can discovery descriptive behaviors that can be easily sampled. Furthermore, we show that through purely reward-free optimization, Skill DT is still competitive with supervised offline RL approaches on the D4RL benchmark. The code and videos can be found on our project page: https://github.com/shyamsn97/skill-dt

The edge-of-chaos dynamics of wide randomly initialized low-rank feedforward networks are analyzed. Formulae for the optimal weight and bias variances are extended from the full-rank to low-rank setting and are shown to follow from multiplicative scaling. The principle second order effect, the variance of the input-output Jacobian, is derived and shown to increase as the rank to width ratio decreases. These results inform practitioners how to randomly initialize feedforward networks with a reduced number of learnable parameters while in the same ambient dimension, allowing reductions in the computational cost and memory constraints of the associated network.

We investigate the mathematical capabilities of ChatGPT by testing it on publicly available datasets, as well as hand-crafted ones, and measuring its performance against other models trained on a mathematical corpus, such as Minerva. We also test whether ChatGPT can be a useful assistant to professional mathematicians by emulating various use cases that come up in the daily professional activities of mathematicians (question answering, theorem searching). In contrast to formal mathematics, where large databases of formal proofs are available (e.g., the Lean Mathematical Library), current datasets of natural-language mathematics, used to benchmark language models, only cover elementary mathematics. We address this issue by introducing a new dataset: GHOSTS. It is the first natural-language dataset made and curated by working researchers in mathematics that (1) aims to cover graduate-level mathematics and (2) provides a holistic overview of the mathematical capabilities of language models. We benchmark ChatGPT on GHOSTS and evaluate performance against fine-grained criteria. We make this new dataset publicly available to assist a community-driven comparison of ChatGPT with (future) large language models in terms of advanced mathematical comprehension. We conclude that contrary to many positive reports in the media (a potential case of selection bias), ChatGPT's mathematical abilities are significantly below those of an average mathematics graduate student. Our results show that ChatGPT often understands the question but fails to provide correct solutions. Hence, if your goal is to use it to pass a university exam, you would be better off copying from your average peer!

Running live music recommendation studies without direct industry partnerships can be a prohibitively daunting task, especially for small teams. In order to help future researchers interested in such evaluations, we present a number of struggles we faced in the process of generating our own such evaluation system alongside potential solutions. These problems span the topics of users, data, computation, and application architecture.

We investigate policy transfer using image-to-semantics translation to mitigate learning difficulties in vision-based robotics control agents. This problem assumes two environments: a simulator environment with semantics, that is, low-dimensional and essential information, as the state space, and a real-world environment with images as the state space. By learning mapping from images to semantics, we can transfer a policy, pre-trained in the simulator, to the real world, thereby eliminating real-world on-policy agent interactions to learn, which are costly and risky. In addition, using image-to-semantics mapping is advantageous in terms of the computational efficiency to train the policy and the interpretability of the obtained policy over other types of sim-to-real transfer strategies. To tackle the main difficulty in learning image-to-semantics mapping, namely the human annotation cost for producing a training dataset, we propose two techniques: pair augmentation with the transition function in the simulator environment and active learning. We observed a reduction in the annotation cost without a decline in the performance of the transfer, and the proposed approach outperformed the existing approach without annotation.

We propose $\mathcal{T}$ruth $\mathcal{T}$able net ($\mathcal{TT}$net), a novel Convolutional Neural Network (CNN) architecture that addresses, by design, the open challenges of interpretability, formal verification, and logic gate conversion. $\mathcal{TT}$net is built using CNNs' filters that are equivalent to tractable truth tables and that we call Learning Truth Table (LTT) blocks. The dual form of LTT blocks allows the truth tables to be easily trained with gradient descent and makes these CNNs easy to interpret, verify and infer. Specifically, $\mathcal{TT}$net is a deep CNN model that can be automatically represented, after post-training transformation, as a sum of Boolean decision trees, or as a sum of Disjunctive/Conjunctive Normal Form (DNF/CNF) formulas, or as a compact Boolean logic circuit. We demonstrate the effectiveness and scalability of $\mathcal{TT}$net on multiple datasets, showing comparable interpretability to decision trees, fast complete/sound formal verification, and scalable logic gate representation, all compared to state-of-the-art methods. We believe this work represents a step towards making CNNs more transparent and trustworthy for real-world critical applications.

This work focuses on reducing neural network size, which is a major driver of neural network execution time, power consumption, bandwidth, and memory footprint. A key challenge is to reduce size in a manner that can be exploited readily for efficient training and inference without the need for specialized hardware. We propose Self-Compression: a simple, general method that simultaneously achieves two goals: (1) removing redundant weights, and (2) reducing the number of bits required to represent the remaining weights. This is achieved using a generalized loss function to minimize overall network size. In our experiments we demonstrate floating point accuracy with as few as 3% of the bits and 18% of the weights remaining in the network.

Mediation analysis learns the causal effect transmitted via mediator variables between treatments and outcomes and receives increasing attention in various scientific domains to elucidate causal relations. Most existing works focus on point-exposure studies where each subject only receives one treatment at a single time point. However, there are a number of applications (e.g., mobile health) where the treatments are sequentially assigned over time and the dynamic mediation effects are of primary interest. Proposing a reinforcement learning (RL) framework, we are the first to evaluate dynamic mediation effects in settings with infinite horizons. We decompose the average treatment effect into an immediate direct effect, an immediate mediation effect, a delayed direct effect, and a delayed mediation effect. Upon the identification of each effect component, we further develop robust and semi-parametrically efficient estimators under the RL framework to infer these causal effects. The superior performance of the proposed method is demonstrated through extensive numerical studies, theoretical results, and an analysis of a mobile health dataset.

Embedding tables are used by machine learning systems to work with categorical features. These tables can become exceedingly large in modern recommendation systems, necessitating the development of new methods for fitting them in memory, even during training. The best previous methods for table compression are so called "post training" quantization schemes such as "product" and "residual" quantization (Gray & Neuhoff, 1998). These methods replace table rows with references to k-means clustered "codewords". Unfortunately, clustering requires prior knowledge of the table to be compressed, which limits the memory savings to inference time and not training time. Hence, recent work, like the QR method (Shi et al., 2020), has used random references (linear sketching), which can be computed with hash functions before training. Unfortunately, the compression achieved is inferior to that achieved by post-training quantization. The new algorithm, CQR, shows how to get the best of two worlds by combining clustering and sketching: First IDs are randomly assigned to a codebook and codewords are trained (end to end) for an epoch. Next, we expand the codebook and apply clustering to reduce the size again. Finally, we add new random references and continue training. We show experimentally close to those of post-training quantization with the training time memory reductions of sketch-based methods, and we prove that our method always converges to the optimal embedding table for least-squares training.

Modern data aggregation often takes the form of a platform collecting data from a network of users. More than ever, these users are now requesting that the data they provide is protected with a guarantee of privacy. This has led to the study of optimal data acquisition frameworks, where the optimality criterion is typically the maximization of utility for the agent trying to acquire the data. This involves determining how to allocate payments to users for the purchase of their data at various privacy levels. The main goal of this paper is to characterize a fair amount to pay users for their data at a given privacy level. We propose an axiomatic definition of fairness, analogous to the celebrated Shapley value. Two concepts for fairness are introduced. The first treats the platform and users as members of a common coalition and provides a complete description of how to divide the utility among the platform and users. In the second concept, fairness is defined only among users, leading to a potential fairness-constrained mechanism design problem for the platform. We consider explicit examples involving private heterogeneous data and show how these notions of fairness can be applied. To the best of our knowledge, these are the first fairness concepts for data that explicitly consider privacy constraints.

For effective and efficient deep neural network inference, it is desirable to achieve state-of-the-art accuracy with the simplest networks requiring the least computation, memory, and power. Quantizing networks to lower precision is a powerful technique for simplifying networks. It is generally desirable to quantize as aggressively as possible without incurring significant accuracy degradation. As each layer of a network may have different sensitivity to quantization, mixed precision quantization methods selectively tune the precision of individual layers of a network to achieve a minimum drop in task performance (e.g., accuracy). To estimate the impact of layer precision choice on task performance two methods are introduced: i) Entropy Approximation Guided Layer selection (EAGL) is fast and uses the entropy of the weight distribution, and ii) Accuracy-aware Layer Precision Selection (ALPS) is straightforward and relies on single epoch fine-tuning after layer precision reduction. Using EAGL and ALPS for layer precision selection, full-precision accuracy is recovered with a mix of 4-bit and 2-bit layers for ResNet-50 and ResNet-101 classification networks, demonstrating improved performance across the entire accuracy-throughput frontier, and equivalent performance for the PSPNet segmentation network in our own commensurate comparison over leading mixed precision layer selection techniques, while requiring orders of magnitude less compute time to reach a solution.

In recent years, there has been a heightened consensus within academia and in the public discourse that Social Media Platforms (SMPs), amplify the spread of hateful and negative sentiment content. Researchers have identified how hateful content, political propaganda, and targeted messaging contributed to real-world harms including insurrections against democratically elected governments, genocide, and breakdown of social cohesion due to heightened negative discourse towards certain communities in parts of the world. To counter these issues, SMPs have created semi-automated systems that can help identify toxic speech. In this paper we analyse the statistical distribution of hateful and negative sentiment contents within a representative Facebook dataset (n= 604,703) scrapped through 648 public Facebook pages which identify themselves as proponents (and followers) of far-right Hindutva actors. These pages were identified manually using keyword searches on Facebook and on CrowdTangleand classified as far-right Hindutva pages based on page names, page descriptions, and discourses shared on these pages. We employ state-of-the-art, open-source XLM-T multilingual transformer-based language models to perform sentiment and hate speech analysis of the textual contents shared on these pages over a period of 5.5 years. The result shows the statistical distributions of the predicted sentiment and the hate speech labels; top actors, and top page categories. We further discuss the benchmark performances and limitations of these pre-trained language models.

Millions of vulnerable consumer IoT devices in home networks are the enabler for cyber crimes putting user privacy and Internet security at risk. Internet service providers (ISPs) are best poised to play key roles in mitigating risks by automatically inferring active IoT devices per household and notifying users of vulnerable ones. Developing a scalable inference method that can perform robustly across thousands of home networks is a non-trivial task. This paper focuses on the challenges of developing and applying data-driven inference models when labeled data of device behaviors is limited and the distribution of data changes (concept drift) across time and space domains. Our contributions are three-fold: (1) We collect and analyze network traffic of 24 types of consumer IoT devices from 12 real homes over six weeks to highlight the challenge of temporal and spatial concept drifts in network behavior of IoT devices; (2) We analyze the performance of two inference strategies, namely "global inference" (a model trained on a combined set of all labeled data from training homes) and "contextualized inference" (several models each trained on the labeled data from a training home) in the presence of concept drifts; and (3) To manage concept drifts, we develop a method that dynamically applies the ``closest'' model (from a set) to network traffic of unseen homes during the testing phase, yielding better performance in 20% of scenarios.

Machine learning methods can be unreliable when deployed in domains that differ from the domains on which they were trained. There are a wide range of proposals for mitigating this problem by learning representations that are ``invariant'' in some sense.However, these methods generally contradict each other, and none of them consistently improve performance on real-world domain shift benchmarks. There are two main questions that must be addressed to understand when, if ever, we should use each method. First, how does each ad hoc notion of ``invariance'' relate to the structure of real-world problems? And, second, when does learning invariant representations actually yield robust models? To address these issues, we introduce a broad formal notion of what it means for a real-world domain shift to admit invariant structure. Then, we characterize the causal structures that are compatible with this notion of invariance.With this in hand, we find conditions under which method-specific invariance notions correspond to real-world invariant structure, and we clarify the relationship between invariant structure and robustness to domain shifts. For both questions, we find that the true underlying causal structure of the data plays a critical role.

In recent years, pre-trained large language models have demonstrated remarkable efficiency in achieving an inference-time few-shot learning capability known as in-context learning. However, existing literature has highlighted the sensitivity of this capability to the selection of few-shot demonstrations. The underlying mechanisms by which this capability arises from regular language model pretraining objectives remain poorly understood. In this study, we aim to examine the in-context learning phenomenon through a Bayesian lens, viewing large language models as topic models that implicitly infer task-related information from demonstrations. On this premise, we propose an algorithm for selecting optimal demonstrations from a set of annotated data and demonstrate a significant 12.5% improvement relative to the random selection baseline, averaged over eight GPT2 and GPT3 models on eight different real-world text classification datasets. Our empirical findings support our hypothesis that large language models implicitly infer a latent concept variable.

In this paper, we consider a general non-convex constrained optimization problem, where the objective function is weakly convex and the constraint function is convex while they can both be non-smooth. This class of problems arises from many applications in machine learning such as fairness-aware supervised learning. To solve this problem, we consider the classical switching subgradient method by Polyak (1965), which is an intuitive and easily implementable first-order method. Before this work, its iteration complexity was only known for convex optimization. We prove its oracle complexity for finding a nearly stationary point when the objective function is non-convex. The analysis is derived separately when the constraint function is deterministic and stochastic. Compared to existing methods, especially the double-loop methods, the switching gradient method can be applied to non-smooth problems and only has a single loop, which saves the effort on tuning the number of inner iterations.

Automated Program Repair (APR) can help developers automatically generate patches for bugs. Due to the impressive performance obtained using Large Pre-Trained Language Models (LLMs) on many code related tasks, researchers have started to directly use LLMs for APR. However, prior approaches simply repeatedly sample the LLM given the same constructed input/prompt created from the original buggy code, which not only leads to generating the same incorrect patches repeatedly but also miss the critical information in testcases. To address these limitations, we propose conversational APR, a new paradigm for program repair that alternates between patch generation and validation in a conversational manner. In conversational APR, we iteratively build the input to the model by combining previously generated patches with validation feedback. As such, we leverage the long-term context window of LLMs to not only avoid generating previously incorrect patches but also incorporate validation feedback to help the model understand the semantic meaning of the program under test. We evaluate 10 different LLM including the newly developed ChatGPT model to demonstrate the improvement of conversational APR over the prior LLM for APR approach.

Given a dataset on actions and resulting long-term rewards, a direct estimation approach fits value functions that minimize prediction error on the training data. Temporal difference learning (TD) methods instead fit value functions by minimizing the degree of temporal inconsistency between estimates made at successive time-steps. Focusing on finite state Markov chains, we provide a crisp asymptotic theory of the statistical advantages of this approach. First, we show that an intuitive inverse trajectory pooling coefficient completely characterizes the percent reduction in mean-squared error of value estimates. Depending on problem structure, the reduction could be enormous or nonexistent. Next, we prove that there can be dramatic improvements in estimates of the difference in value-to-go for two states: TD's errors are bounded in terms of a novel measure - the problem's trajectory crossing time - which can be much smaller than the problem's time horizon.

Training deep networks and tuning hyperparameters on large datasets is computationally intensive. One of the primary research directions for efficient training is to reduce training costs by selecting well-generalizable subsets of training data. Compared to simple adaptive random subset selection baselines, existing intelligent subset selection approaches are not competitive due to the time-consuming subset selection step, which involves computing model-dependent gradients and feature embeddings and applies greedy maximization of submodular objectives. Our key insight is that removing the reliance on downstream model parameters enables subset selection as a pre-processing step and enables one to train multiple models at no additional cost. In this work, we propose MILO, a model-agnostic subset selection framework that decouples the subset selection from model training while enabling superior model convergence and performance by using an easy-to-hard curriculum. Our empirical results indicate that MILO can train models $3\times - 10 \times$ faster and tune hyperparameters $20\times - 75 \times$ faster than full-dataset training or tuning without compromising performance.

Physics-informed neural networks (PINNs) have been widely used to solve partial differential equations in a forward and inverse manner using deep neural networks. However, training these networks can be challenging for multiscale problems. While statistical methods can be employed to scale the regression loss on data, it is generally challenging to scale the loss terms for equations. This paper proposes a method for scaling the mean squared loss terms in the objective function used to train PINNs. Instead of using automatic differentiation to calculate the temporal derivative, we use backward Euler discretization. This provides us with a scaling term for the equations. In this work, we consider the two and three-dimensional Navier-Stokes equations and determine the kinematic viscosity using the spatio-temporal data on the velocity and pressure fields. We first consider numerical datasets to test our method. We test the sensitivity of our method to the time step size, the number of timesteps, noise in the data, and spatial resolution. Finally, we use the velocity field obtained using Particle Image Velocimetry (PIV) experiments to generate a reference pressure field. We then test our framework using the velocity and reference pressure field.

Loss function learning is a new meta-learning paradigm that aims to automate the essential task of designing a loss function for a machine learning model. Existing techniques for loss function learning have shown promising results, often improving a model's training dynamics and final inference performance. However, a significant limitation of these techniques is that the loss functions are meta-learned in an offline fashion, where the meta-objective only considers the very first few steps of training, which is a significantly shorter time horizon than the one typically used for training deep neural networks. This causes significant bias towards loss functions that perform well at the very start of training but perform poorly at the end of training. To address this issue we propose a new loss function learning technique for adaptively updating the loss function online after each update to the base model parameters. The experimental results show that our proposed method consistently outperforms the cross-entropy loss and offline loss function learning techniques on a diverse range of neural network architectures and datasets.

Despite the popularity of policy gradient methods, they are known to suffer from large variance and high sample complexity. To mitigate this, we introduce SoftTreeMax -- a generalization of softmax that takes planning into account. In SoftTreeMax, we extend the traditional logits with the multi-step discounted cumulative reward, topped with the logits of future states. We consider two variants of SoftTreeMax, one for cumulative reward and one for exponentiated reward. For both, we analyze the gradient variance and reveal for the first time the role of a tree expansion policy in mitigating this variance. We prove that the resulting variance decays exponentially with the planning horizon as a function of the expansion policy. Specifically, we show that the closer the resulting state transitions are to uniform, the faster the decay. In a practical implementation, we utilize a parallelized GPU-based simulator for fast and efficient tree search. Our differentiable tree-based policy leverages all gradients at the tree leaves in each environment step instead of the traditional single-sample-based gradient. We then show in simulation how the variance of the gradient is reduced by three orders of magnitude, leading to better sample complexity compared to the standard policy gradient. On Atari, SoftTreeMax demonstrates up to 5x better performance in a faster run time compared to distributed PPO. Lastly, we demonstrate that high reward correlates with lower variance.

In many applications in engineering and sciences analysts have simultaneous access to multiple data sources. In such cases, the overall cost of acquiring information can be reduced via data fusion or multi-fidelity (MF) modeling where one leverages inexpensive low-fidelity (LF) sources to reduce the reliance on expensive high-fidelity (HF) data. In this paper, we employ neural networks (NNs) for data fusion in scenarios where data is very scarce and obtained from an arbitrary number of sources with varying levels of fidelity and cost. We introduce a unique NN architecture that converts MF modeling into a nonlinear manifold learning problem. Our NN architecture inversely learns non-trivial (e.g., non-additive and non-hierarchical) biases of the LF sources in an interpretable and visualizable manifold where each data source is encoded via a low-dimensional distribution. This probabilistic manifold quantifies model form uncertainties such that LF sources with small bias are encoded close to the HF source. Additionally, we endow the output of our NN with a parametric distribution not only to quantify aleatoric uncertainties, but also to reformulate the network's loss function based on strictly proper scoring rules which improve robustness and accuracy on unseen HF data. Through a set of analytic and engineering examples, we demonstrate that our approach provides a high predictive power while quantifying various sources uncertainties.

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes while retaining single-step accuracy. Desirable routes should be both synthesizable and of low cost. We propose an online training algorithm, called Planning with Dual Value Networks (PDVN), in which two value networks predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Furthermore, PDVN finds shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

Animal navigation research posits that organisms build and maintain internal spatial representations, or maps, of their environment. We ask if machines -- specifically, artificial intelligence (AI) navigation agents -- also build implicit (or 'mental') maps. A positive answer to this question would (a) explain the surprising phenomenon in recent literature of ostensibly map-free neural-networks achieving strong performance, and (b) strengthen the evidence of mapping as a fundamental mechanism for navigation by intelligent embodied agents, whether they be biological or artificial. Unlike animal navigation, we can judiciously design the agent's perceptual system and control the learning paradigm to nullify alternative navigation mechanisms. Specifically, we train 'blind' agents -- with sensing limited to only egomotion and no other sensing of any kind -- to perform PointGoal navigation ('go to $\Delta$ x, $\Delta$ y') via reinforcement learning. Our agents are composed of navigation-agnostic components (fully-connected and recurrent neural networks), and our experimental setup provides no inductive bias towards mapping. Despite these harsh conditions, we find that blind agents are (1) surprisingly effective navigators in new environments (~95% success); (2) they utilize memory over long horizons (remembering ~1,000 steps of past experience in an episode); (3) this memory enables them to exhibit intelligent behavior (following walls, detecting collisions, taking shortcuts); (4) there is emergence of maps and collision detection neurons in the representations of the environment built by a blind agent as it navigates; and (5) the emergent maps are selective and task dependent (e.g. the agent 'forgets' exploratory detours). Overall, this paper presents no new techniques for the AI audience, but a surprising finding, an insight, and an explanation.

In recent years numerous methods have been developed to formally verify the robustness of deep neural networks (DNNs). Though the proposed techniques are effective in providing mathematical guarantees about the DNNs behavior, it is not clear whether the proofs generated by these methods are human-interpretable. In this paper, we bridge this gap by developing new concepts, algorithms, and representations to generate human understandable interpretations of the proofs. Leveraging the proposed method, we show that the robustness proofs of standard DNNs rely on spurious input features, while the proofs of DNNs trained to be provably robust filter out even the semantically meaningful features. The proofs for the DNNs combining adversarial and provably robust training are the most effective at selectively filtering out spurious features as well as relying on human-understandable input features.

Pandora's Box is a fundamental stochastic optimization problem, where the decision-maker must find a good alternative while minimizing the search cost of exploring the value of each alternative. In the original formulation, it is assumed that accurate distributions are given for the values of all the alternatives, while recent work studies the online variant of Pandora's Box where the distributions are originally unknown. In this work, we study Pandora's Box in the online setting, while incorporating context. At every round, we are presented with a number of alternatives each having a context, an exploration cost and an unknown value drawn from an unknown distribution that may change at every round. Our main result is a no-regret algorithm that performs comparably well to the optimal algorithm which knows all prior distributions exactly. Our algorithm works even in the bandit setting where the algorithm never learns the values of the alternatives that were not explored. The key technique that enables our result is a novel modification of the realizability condition in contextual bandits that connects a context to a sufficient statistic of each alternative's distribution (its "reservation value") rather than its mean.

We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.

Subgraphs of a larger global graph may be distributed across multiple devices, and only locally accessible due to privacy restrictions, although there may be links between subgraphs. Recently proposed subgraph Federated Learning (FL) methods deal with those missing links across local subgraphs while distributively training Graph Neural Networks (GNNs) on them. However, they have overlooked the inevitable heterogeneity between subgraphs comprising different communities of a global graph, consequently collapsing the incompatible knowledge from local GNN models. To this end, we introduce a new subgraph FL problem, personalized subgraph FL, which focuses on the joint improvement of the interrelated local GNNs rather than learning a single global model, and propose a novel framework, FEDerated Personalized sUBgraph learning (FED-PUB), to tackle it. Since the server cannot access the subgraph in each client, FED-PUB utilizes functional embeddings of the local GNNs using random graphs as inputs to compute similarities between them, and use the similarities to perform weighted averaging for server-side aggregation. Further, it learns a personalized sparse mask at each client to select and update only the subgraph-relevant subset of the aggregated parameters. We validate our FED-PUB for its subgraph FL performance on six datasets, considering both non-overlapping and overlapping subgraphs, on which it significantly outperforms relevant baselines.

Low-dimensional embeddings and visualizations are an indispensable tool for analysis of high-dimensional data. State-of-the-art methods, such as tSNE and UMAP, excel in unveiling local structures hidden in high-dimensional data and are therefore routinely applied in standard analysis pipelines in biology. We show, however, that these methods fail to reconstruct local properties, such as relative differences in densities (Fig. 1) and that apparent differences in cluster size can arise from computational artifact caused by differing sample sizes (Fig. 2). Providing a theoretical analysis of this issue, we then suggest dtSNE, which approximately conserves local densities. In an extensive study on synthetic benchmark and real world data comparing against five state-of-the-art methods, we empirically show that dtSNE provides similar global reconstruction, but yields much more accurate depictions of local distances and relative densities.

Cross-modality data translation has attracted great interest in image computing. Deep generative models (\textit{e.g.}, GANs) show performance improvement in tackling those problems. Nevertheless, as a fundamental challenge in image translation, the problem of Zero-shot-Learning Cross-Modality Data Translation with fidelity remains unanswered. This paper proposes a new unsupervised zero-shot-learning method named Mutual Information guided Diffusion cross-modality data translation Model (MIDiffusion), which learns to translate the unseen source data to the target domain. The MIDiffusion leverages a score-matching-based generative model, which learns the prior knowledge in the target domain. We propose a differentiable local-wise-MI-Layer ($LMI$) for conditioning the iterative denoising sampling. The $LMI$ captures the identical cross-modality features in the statistical domain for the diffusion guidance; thus, our method does not require retraining when the source domain is changed, as it does not rely on any direct mapping between the source and target domains. This advantage is critical for applying cross-modality data translation methods in practice, as a reasonable amount of source domain dataset is not always available for supervised training. We empirically show the advanced performance of MIDiffusion in comparison with an influential group of generative models, including adversarial-based and other score-matching-based models.

We study variance-dependent regret bounds for Markov decision processes (MDPs). Algorithms with variance-dependent regret guarantees can automatically exploit environments with low variance (e.g., enjoying constant regret on deterministic MDPs). The existing algorithms are either variance-independent or suboptimal. We first propose two new environment norms to characterize the fine-grained variance properties of the environment. For model-based methods, we design a variant of the MVP algorithm (Zhang et al., 2021a) and use new analysis techniques show to this algorithm enjoys variance-dependent bounds with respect to our proposed norms. In particular, this bound is simultaneously minimax optimal for both stochastic and deterministic MDPs, the first result of its kind. We further initiate the study on model-free algorithms with variance-dependent regret bounds by designing a reference-function-based algorithm with a novel capped-doubling reference update schedule. Lastly, we also provide lower bounds to complement our upper bounds.

A cursory reading of the literature suggests that we have made a lot of progress in designing effective adversarial defenses for Graph Neural Networks (GNNs). Yet, the standard methodology has a serious flaw - virtually all of the defenses are evaluated against non-adaptive attacks leading to overly optimistic robustness estimates. We perform a thorough robustness analysis of 7 of the most popular defenses spanning the entire spectrum of strategies, i.e., aimed at improving the graph, the architecture, or the training. The results are sobering - most defenses show no or only marginal improvement compared to an undefended baseline. We advocate using custom adaptive attacks as a gold standard and we outline the lessons we learned from successfully designing such attacks. Moreover, our diverse collection of perturbed graphs forms a (black-box) unit test offering a first glance at a model's robustness.

In Machine Learning (ML)-enabled autonomous systems (MLASs), it is essential to identify the hazard boundary of ML Components (MLCs) in the MLAS under analysis. Given that such boundary captures the conditions in terms of MLC behavior and system context that can lead to hazards, it can then be used to, for example, build a safety monitor that can take any predefined fallback mechanisms at runtime when reaching the hazard boundary. However, determining such hazard boundary for an ML component is challenging. This is due to the space combining system contexts (i.e., scenarios) and MLC behaviors (i.e., inputs and outputs) being far too large for exhaustive exploration and even to handle using conventional metaheuristics, such as genetic algorithms. Additionally, the high computational cost of simulations required to determine any MLAS safety violations makes the problem even more challenging. Furthermore, it is unrealistic to consider a region in the problem space deterministically safe or unsafe due to the uncontrollable parameters in simulations and the non-linear behaviors of ML models (e.g., deep neural networks) in the MLAS under analysis. To address the challenges, we propose MLCSHE (ML Component Safety Hazard Envelope), a novel method based on a Cooperative Co-Evolutionary Algorithm (CCEA), which aims to tackle a high-dimensional problem by decomposing it into two lower-dimensional search subproblems. Moreover, we take a probabilistic view of safe and unsafe regions and define a novel fitness function to measure the distance from the probabilistic hazard boundary and thus drive the search effectively. We evaluate the effectiveness and efficiency of MLCSHE on a complex Autonomous Vehicle (AV) case study. Our evaluation results show that MLCSHE is significantly more effective and efficient compared to a standard genetic algorithm and random search.

Mixtures of experts (MoE) models are a popular framework for modeling heterogeneity in data, for both regression and classification problems in statistics and machine learning, due to their flexibility and the abundance of available statistical estimation and model choice tools. Such flexibility comes from allowing the mixture weights (or gating functions) in the MoE model to depend on the explanatory variables, along with the experts (or component densities). This permits the modeling of data arising from more complex data generating processes when compared to the classical finite mixtures and finite mixtures of regression models, whose mixing parameters are independent of the covariates. The use of MoE models in a high-dimensional setting, when the number of explanatory variables can be much larger than the sample size, is challenging from a computational point of view, and in particular from a theoretical point of view, where the literature is still lacking results for dealing with the curse of dimensionality, for both the statistical estimation and feature selection problems. We consider the finite MoE model with soft-max gating functions and Gaussian experts for high-dimensional regression on heterogeneous data, and its $l_1$-regularized estimation via the Lasso. We focus on the Lasso estimation properties rather than its feature selection properties. We provide a lower bound on the regularization parameter of the Lasso function that ensures an $l_1$-oracle inequality satisfied by the Lasso estimator according to the Kullback--Leibler loss.

Influencer marketing has become a very popular tool to reach customers. Despite the rapid growth in influencer videos, there has been little research on the effectiveness of their constituent elements in explaining video engagement. We study YouTube influencers and analyze their unstructured video data across text, audio and images using a novel "interpretable deep learning" framework that accomplishes both goals of prediction and interpretation. Our prediction-based approach analyzes unstructured data and finds that "what is said" in words (text) is more influential than "how it is said" in imagery (images) followed by acoustics (audio). Our interpretation-based approach is implemented after completion of model prediction by analyzing the same source of unstructured data to measure importance attributed to the video elements. We eliminate several spurious and confounded relationships, and identify a smaller subset of theory-based relationships. We uncover novel findings that establish distinct effects for measures of shallow and deep engagement which are based on the dual-system framework of human thinking. Our approach is validated using simulated data, and we discuss the learnings from our findings for influencers and brands.

Supervised deep learning approaches to underdetermined audio source separation achieve state-of-the-art performance but require a dataset of mixtures along with their corresponding isolated source signals. Such datasets can be extremely costly to obtain for musical mixtures. This raises a need for unsupervised methods. We propose a novel unsupervised model-based deep learning approach to musical source separation. Each source is modelled with a differentiable parametric source-filter model. A neural network is trained to reconstruct the observed mixture as a sum of the sources by estimating the source models' parameters given their fundamental frequencies. At test time, soft masks are obtained from the synthesized source signals. The experimental evaluation on a vocal ensemble separation task shows that the proposed method outperforms learning-free methods based on nonnegative matrix factorization and a supervised deep learning baseline. Integrating domain knowledge in the form of source models into a data-driven method leads to high data efficiency: the proposed approach achieves good separation quality even when trained on less than three minutes of audio. This work makes powerful deep learning based separation usable in scenarios where training data with ground truth is expensive or nonexistent.

Auxiliary learning is an effective method for enhancing the generalization capabilities of trained models, particularly when dealing with small datasets. However, this approach may present several difficulties: (i) optimizing multiple objectives can be more challenging, and (ii) how to balance the auxiliary tasks to best assist the main task is unclear. In this work, we propose a novel approach, named AuxiNash, for balancing tasks in auxiliary learning by formalizing the problem as generalized bargaining game with asymmetric task bargaining power. Furthermore, we describe an efficient procedure for learning the bargaining power of tasks based on their contribution to the performance of the main task and derive theoretical guarantees for its convergence. Finally, we evaluate AuxiNash on multiple multi-task benchmarks and find that it consistently outperforms competing methods.

Hit song prediction, one of the emerging fields in music information retrieval (MIR), remains a considerable challenge. Being able to understand what makes a given song a hit is clearly beneficial to the whole music industry. Previous approaches to hit song prediction have focused on using audio features of a record. This study aims to improve the prediction result of the top 10 hits among Billboard Hot 100 songs using more alternative metadata, including song audio features provided by Spotify, song lyrics, and novel metadata-based features (title topic, popularity continuity and genre class). Five machine learning approaches are applied, including: k-nearest neighbours, Naive Bayes, Random Forest, Logistic Regression and Multilayer Perceptron. Our results show that Random Forest (RF) and Logistic Regression (LR) with all features (including novel features, song audio features and lyrics features) outperforms other models, achieving 89.1% and 87.2% accuracy, and 0.91 and 0.93 AUC, respectively. Our findings also demonstrate the utility of our novel music metadata features, which contributed most to the models' discriminative performance.

Semi-supervised learning (SSL) has been widely explored in recent years, and it is an effective way of leveraging unlabeled data to reduce the reliance on labeled data. In this work, we adjust neural processes (NPs) to the semi-supervised image classification task, resulting in a new method named NP-Match. NP-Match is suited to this task for two reasons. Firstly, NP-Match implicitly compares data points when making predictions, and as a result, the prediction of each unlabeled data point is affected by the labeled data points that are similar to it, which improves the quality of pseudo-labels. Secondly, NP-Match is able to estimate uncertainty that can be used as a tool for selecting unlabeled samples with reliable pseudo-labels. Compared with uncertainty-based SSL methods implemented with Monte-Carlo (MC) dropout, NP-Match estimates uncertainty with much less computational overhead, which can save time at both the training and the testing phases. We conducted extensive experiments on five public datasets under three semi-supervised image classification settings, namely, the standard semi-supervised image classification, the imbalanced semi-supervised image classification, and the multi-label semi-supervised image classification, and NP-Match outperforms state-of-the-art (SOTA) approaches or achieves competitive results on them, which shows the effectiveness of NP-Match and its potential for SSL. The codes are at https://github.com/Jianf-Wang/NP-Match

Motivated by concerns about making online decisions that incur undue amount of risk at each time step, in this paper, we formulate the probably anytime-safe stochastic combinatorial semi-bandits problem. In this problem, the agent is given the option to select a subset of size at most $K$ from a set of $L$ ground items. Each item is associated to a certain mean reward as well as a variance that represents its risk. To mitigate the risk that the agent incurs, we require that with probability at least $1-\delta$, over the entire horizon of time $T$, each of the choices that the agent makes should contain items whose sum of variances does not exceed a certain variance budget. We call this probably anytime-safe constraint. Under this constraint, we design and analyze an algorithm {\sc PASCombUCB} that minimizes the regret over the horizon of time $T$. By developing accompanying information-theoretic lower bounds, we show under both the problem-dependent and problem-independent paradigms, {\sc PASCombUCB} is almost asymptotically optimal. Our problem setup, the proposed {\sc PASCombUCB} algorithm, and novel analyses are applicable to domains such as recommendation systems and transportation in which an agent is allowed to choose multiple items at a single time step and wishes to control the risk over the whole time horizon.

Many experimental time series measurements share an unobserved causal driver. Examples include genes targeted by transcription factors, ocean flows influenced by large-scale atmospheric currents, and motor circuits steered by descending neurons. Reliably inferring this unseen driving force is necessary to understand the intermittent nature of top-down control schemes in diverse biological and engineered systems. Here, we introduce a new unsupervised learning algorithm that uses recurrences in time series measurements to gradually reconstruct an unobserved driving signal. Drawing on the mathematical theory of skew-product dynamical systems, we identify recurrence events shared across response time series, which implicitly define a recurrence graph with glass-like structure. As the amount or quality of observed data improves, this recurrence graph undergoes a percolation transition manifesting as weak ergodicity breaking for random walks on the induced landscape -- revealing the shared driver's dynamics, even in the presence of strongly corrupted or noisy measurements. Across several thousand random dynamical systems, we empirically quantify the dependence of reconstruction accuracy on the rate of information transfer from a chaotic driver to the response systems, and we find that effective reconstruction proceeds through gradual approximation of the driver's dominant unstable periodic orbits. Through extensive benchmarks against classical and neural-network-based signal processing techniques, we demonstrate our method's strong ability to extract causal driving signals from diverse real-world datasets spanning neuroscience, genomics, fluid dynamics, and physiology.

Challenging the Nvidia monopoly, dedicated AI-accelerator chips have begun emerging for tackling the computational challenge that the inference and, especially, the training of modern deep neural networks (DNNs) poses to modern computers. The field has been ridden with studies assessing the performance of these contestants across various DNN model types. However, AI-experts are aware of the limitations of current DNNs and have been working towards the fourth AI wave which will, arguably, rely on more biologically inspired models, predominantly on spiking neural networks (SNNs). At the same time, GPUs have been heavily used for simulating such models in the field of computational neuroscience, yet AI-chips have not been tested on such workloads. The current paper aims at filling this important gap by evaluating multiple, cutting-edge AI-chips (Graphcore IPU, GroqChip, Nvidia GPU with Tensor Cores and Google TPU) on simulating a highly biologically detailed model of a brain region, the inferior olive (IO). This IO application stress-tests the different AI-platforms for highlighting architectural tradeoffs by varying its compute density, memory requirements and floating-point numerical accuracy. Our performance analysis reveals that the simulation problem maps extremely well onto the GPU and TPU architectures, which for networks of 125,000 cells leads to a 28x respectively 1,208x speedup over CPU runtimes. At this speed, the TPU sets a new record for largest real-time IO simulation. The GroqChip outperforms both platforms for small networks but, due to implementing some floating-point operations at reduced accuracy, is found not yet usable for brain simulation.

The fifth generation (5G) of wireless networks is set out to meet the stringent requirements of vehicular use cases. Edge computing resources can aid in this direction by moving processing closer to end-users, reducing latency. However, given the stochastic nature of traffic loads and availability of physical resources, appropriate auto-scaling mechanisms need to be employed to support cost-efficient and performant services. To this end, we employ Deep Reinforcement Learning (DRL) for vertical scaling in Edge computing to support vehicular-to-network communications. We address the problem using Deep Deterministic Policy Gradient (DDPG). As DDPG is a model-free off-policy algorithm for learning continuous actions, we introduce a discretization approach to support discrete scaling actions. Thus we address scalability problems inherent to high-dimensional discrete action spaces. Employing a real-world vehicular trace data set, we show that DDPG outperforms existing solutions, reducing (at minimum) the average number of active CPUs by 23% while increasing the long-term reward by 24%.

Recent state-of-the-art source-free domain adaptation (SFDA) methods have focused on learning meaningful cluster structures in the feature space, which have succeeded in adapting the knowledge from source domain to unlabeled target domain without accessing the private source data. However, existing methods rely on the pseudo-labels generated by source models that can be noisy due to domain shift. In this paper, we study SFDA from the perspective of learning with label noise (LLN). Unlike the label noise in the conventional LLN scenario, we prove that the label noise in SFDA follows a different distribution assumption. We also prove that such a difference makes existing LLN methods that rely on their distribution assumptions unable to address the label noise in SFDA. Empirical evidence suggests that only marginal improvements are achieved when applying the existing LLN methods to solve the SFDA problem. On the other hand, although there exists a fundamental difference between the label noise in the two scenarios, we demonstrate theoretically that the early-time training phenomenon (ETP), which has been previously observed in conventional label noise settings, can also be observed in the SFDA problem. Extensive experiments demonstrate significant improvements to existing SFDA algorithms by leveraging ETP to address the label noise in SFDA.

The problem of transitioning smoothly from one audio clip to another arises in many music consumption scenarios, especially as music consumption has moved from professionally curated and live-streamed radios to personal playback devices and services. we present the first steps toward a new method of automatically transitioning from one audio clip to another by discretizing the frequency spectrum into bins and then finding transition times for each bin. We phrase the problem as one of graph flow optimization; specifically min-cut/max-flow.

While it is tempting to believe that data distillation preserves privacy, distilled data's empirical robustness against known attacks does not imply a provable privacy guarantee. Here, we develop a provably privacy-preserving data distillation algorithm, called differentially private kernel inducing points (DP-KIP). DP-KIP is an instantiation of DP-SGD on kernel ridge regression (KRR). Following a recent work, we use neural tangent kernels and minimize the KRR loss to estimate the distilled datapoints (i.e., kernel inducing points). We provide a computationally efficient JAX implementation of DP-KIP, which we test on several popular image and tabular datasets to show its efficacy in data distillation with differential privacy guarantees.

In this study, we propose Shortcut Fine-tuning (SFT), a new approach for addressing the challenge of fast sampling of pretrained Denoising Diffusion Probabilistic Models (DDPMs). SFT advocates for the fine-tuning of DDPM samplers through the direct minimization of Integral Probability Metrics (IPM), instead of learning the backward diffusion process. This enables samplers to discover an alternative and more efficient sampling shortcut, deviating from the backward diffusion process. We also propose a new algorithm that is similar to the policy gradient method for fine-tuning DDPMs by proving that under certain assumptions, the gradient descent of diffusion models is equivalent to the policy gradient approach. Through empirical evaluation, we demonstrate that our fine-tuning method can further enhance existing fast DDPM samplers, resulting in sample quality comparable to or even surpassing that of the full-step model across various datasets.

Simulation-based inference (SBI) techniques are now an essential tool for the parameter estimation of mechanistic and simulatable models with intractable likelihoods. Statistical approaches to SBI such as approximate Bayesian computation and Bayesian synthetic likelihood have been well studied in the well specified and misspecified settings. However, most implementations are inefficient in that many model simulations are wasted. Neural approaches such as sequential neural likelihood (SNL) have been developed that exploit all model simulations to build a surrogate of the likelihood function. However, SNL approaches have been shown to perform poorly under model misspecification. In this paper, we develop a new method for SNL that is robust to model misspecification and can identify areas where the model is deficient. We demonstrate the usefulness of the new approach on several illustrative examples.

We present a discretization-free scalable framework for solving a large class of mass-conserving partial differential equations (PDEs), including the time-dependent Fokker-Planck equation and the Wasserstein gradient flow. The main observation is that the time-varying velocity field of the PDE solution needs to be self-consistent: it must satisfy a fixed-point equation involving the flow characterized by the same velocity field. By parameterizing the flow as a time-dependent neural network, we propose an end-to-end iterative optimization framework called self-consistent velocity matching to solve this class of PDEs. Compared to existing approaches, our method does not suffer from temporal or spatial discretization, covers a wide range of PDEs, and scales to high dimensions. Experimentally, our method recovers analytical solutions accurately when they are available and achieves comparable or better performance in high dimensions with less training time compared to recent large-scale JKO-based methods that are designed for solving a more restrictive family of PDEs.

We study the canonical statistical estimation problem of linear regression from $n$ i.i.d.~examples under $(\varepsilon,\delta)$-differential privacy when some response variables are adversarially corrupted. We propose a variant of the popular differentially private stochastic gradient descent (DP-SGD) algorithm with two innovations: a full-batch gradient descent to improve sample complexity and a novel adaptive clipping to guarantee robustness. When there is no adversarial corruption, this algorithm improves upon the existing state-of-the-art approach and achieves a near optimal sample complexity. Under label-corruption, this is the first efficient linear regression algorithm to guarantee both $(\varepsilon,\delta)$-DP and robustness. Synthetic experiments confirm the superiority of our approach.

As human-robot collaboration increases in the workforce, it becomes essential for human-robot teams to coordinate efficiently and intuitively. Traditional approaches for human-robot scheduling either utilize exact methods that are intractable for large-scale problems and struggle to account for stochastic, time varying human task performance, or application-specific heuristics that require expert domain knowledge to develop. We propose a deep learning-based framework, called HybridNet, combining a heterogeneous graph-based encoder with a recurrent schedule propagator for scheduling stochastic human-robot teams under upper- and lower-bound temporal constraints. The HybridNet's encoder leverages Heterogeneous Graph Attention Networks to model the initial environment and team dynamics while accounting for the constraints. By formulating task scheduling as a sequential decision-making process, the HybridNet's recurrent neural schedule propagator leverages Long Short-Term Memory (LSTM) models to propagate forward consequences of actions to carry out fast schedule generation, removing the need to interact with the environment between every task-agent pair selection. The resulting scheduling policy network provides a computationally lightweight yet highly expressive model that is end-to-end trainable via Reinforcement Learning algorithms. We develop a virtual task scheduling environment for mixed human-robot teams in a multi-round setting, capable of modeling the stochastic learning behaviors of human workers. Experimental results showed that HybridNet outperformed other human-robot scheduling solutions across problem sizes for both deterministic and stochastic human performance, with faster runtime compared to pure-GNN-based schedulers.  ( 2 min )

Simplicity bias is the concerning tendency of deep networks to over-depend on simple, weakly predictive features, to the exclusion of stronger, more complex features. This causes biased, incorrect model predictions in many real-world applications, exacerbated by incomplete training data containing spurious feature-label correlations. We propose a direct, interventional method for addressing simplicity bias in DNNs, which we call the feature sieve. We aim to automatically identify and suppress easily-computable spurious features in lower layers of the network, thereby allowing the higher network levels to extract and utilize richer, more meaningful representations. We provide concrete evidence of this differential suppression & enhancement of relevant features on both controlled datasets and real-world images, and report substantial gains on many real-world debiasing benchmarks (11.4% relative gain on Imagenet-A; 3.2% on BAR, etc). Crucially, we outperform many baselines that incorporate knowledge about known spurious or biased attributes, despite our method not using any such information. We believe that our feature sieve work opens up exciting new research directions in automated adversarial feature extraction & representation learning for deep networks.  ( 2 min )

Low-dimensional embeddings and visualizations are an indispensable tool for analysis of high-dimensional data. State-of-the-art methods, such as tSNE and UMAP, excel in unveiling local structures hidden in high-dimensional data and are therefore routinely applied in standard analysis pipelines in biology. We show, however, that these methods fail to reconstruct local properties, such as relative differences in densities (Fig. 1) and that apparent differences in cluster size can arise from computational artifact caused by differing sample sizes (Fig. 2). Providing a theoretical analysis of this issue, we then suggest dtSNE, which approximately conserves local densities. In an extensive study on synthetic benchmark and real world data comparing against five state-of-the-art methods, we empirically show that dtSNE provides similar global reconstruction, but yields much more accurate depictions of local distances and relative densities.  ( 2 min )

The prediction of financial markets is a challenging yet important task. In modern electronically-driven markets, traditional time-series econometric methods often appear incapable of capturing the true complexity of the multi-level interactions driving the price dynamics. While recent research has established the effectiveness of traditional machine learning (ML) models in financial applications, their intrinsic inability to deal with uncertainties, which is a great concern in econometrics research and real business applications, constitutes a major drawback. Bayesian methods naturally appear as a suitable remedy conveying the predictive ability of ML methods with the probabilistically-oriented practice of econometric research. By adopting a state-of-the-art second-order optimization algorithm, we train a Bayesian bilinear neural network with temporal attention, suitable for the challenging time-series task of predicting mid-price movements in ultra-high-frequency limit-order book markets. We thoroughly compare our Bayesian model with traditional ML alternatives by addressing the use of predictive distributions to analyze errors and uncertainties associated with the estimated parameters and model forecasts. Our results underline the feasibility of the Bayesian deep-learning approach and its predictive and decisional advantages in complex econometric tasks, prompting future research in this direction.

We initiate a study of supervised learning from many independent sequences ("trajectories") of non-independent covariates, reflecting tasks in sequence modeling, control, and reinforcement learning. Conceptually, our multi-trajectory setup sits between two traditional settings in statistical learning theory: learning from independent examples and learning from a single auto-correlated sequence. Our conditions for efficient learning generalize the former setting--trajectories must be non-degenerate in ways that extend standard requirements for independent examples. Notably, we do not require that trajectories be ergodic, long, nor strictly stable. For linear least-squares regression, given $n$-dimensional examples produced by $m$ trajectories, each of length $T$, we observe a notable change in statistical efficiency as the number of trajectories increases from a few (namely $m \lesssim n$) to many (namely $m \gtrsim n$). Specifically, we establish that the worst-case error rate of this problem is $\Theta(n / m T)$ whenever $m \gtrsim n$. Meanwhile, when $m \lesssim n$, we establish a (sharp) lower bound of $\Omega(n^2 / m^2 T)$ on the worst-case error rate, realized by a simple, marginally unstable linear dynamical system. A key upshot is that, in domains where trajectories regularly reset, the error rate eventually behaves as if all of the examples were independent, drawn from their marginals. As a corollary of our analysis, we also improve guarantees for the linear system identification problem.

Recently, deep metric learning techniques received attention, as the learned distance representations are useful to capture the similarity relationship among samples and further improve the performance of various of supervised or unsupervised learning tasks. We propose a novel supervised metric learning method that can learn the distance metrics in both geometric and probabilistic space for image recognition. In contrast to the previous metric learning methods which usually focus on learning the distance metrics in Euclidean space, our proposed method is able to learn better distance representation in a hybrid approach. To achieve this, we proposed a Generalized Hybrid Metric Loss (GHM-Loss) to learn the general hybrid proximity features from the image data by controlling the trade-off between geometric proximity and probabilistic proximity. To evaluate the effectiveness of our method, we first provide theoretical derivations and proofs of the proposed loss function, then we perform extensive experiments on two public datasets to show the advantage of our method compared to other state-of-the-art metric learning methods.

We consider the linear contextual multi-class multi-period packing problem~(LMMP) where the goal is to pack items such that the total vector of consumption is below a given budget vector and the total value is as large as possible. We consider the setting where the reward and the consumption vector associated with each action is a class-dependent linear function of the context, and the decision-maker receives bandit feedback. LMMP includes linear contextual bandits with knapsacks and online revenue management as special cases. We establish a new more efficient estimator which guarantees a faster convergence rate, and consequently, a lower regret in such problems. We propose a bandit policy that is a closed-form function of said estimated parameters. When the contexts are non-degenerate, the regret of the proposed policy is sublinear in the context dimension, the number of classes, and the time horizon~$T$ when the budget grows at least as $\sqrt{T}$. We also resolve an open problem posed in Agrawal & Devanur (2016), and extend the result to a multi-class setting. Our numerical experiments clearly demonstrate that the performance of our policy is superior to other benchmarks in the literature.

This paper presents a new convergent Plug-and-Play (PnP) algorithm. PnP methods are efficient iterative algorithms for solving image inverse problems formulated as the minimization of the sum of a data-fidelity term and a regularization term. PnP methods perform regularization by plugging a pre-trained denoiser in a proximal algorithm, such as Proximal Gradient Descent (PGD). To ensure convergence of PnP schemes, many works study specific parametrizations of deep denoisers. However, existing results require either unverifiable or suboptimal hypotheses on the denoiser, or assume restrictive conditions on the parameters of the inverse problem. Observing that these limitations can be due to the proximal algorithm in use, we study a relaxed version of the PGD algorithm for minimizing the sum of a convex function and a weakly convex one. When plugged with a relaxed proximal denoiser, we show that the proposed PnP-$\alpha$PGD algorithm converges for a wider range of regularization parameters, thus allowing more accurate image restoration.

We study the stability and convergence of training deep ResNets with gradient descent. Specifically, we show that the parametric branch in the residual block should be scaled down by a factor $\tau =O(1/\sqrt{L})$ to guarantee stable forward/backward process, where $L$ is the number of residual blocks. Moreover, we establish a converse result that the forward process is unbounded when $\tau>L^{-\frac{1}{2}+c}$, for any positive constant $c$. The above two results together establish a sharp value of the scaling factor in determining the stability of deep ResNet. Based on the stability result, we further show that gradient descent finds the global minima if the ResNet is properly over-parameterized, which significantly improves over the previous work with a much larger range of $\tau$ that admits global convergence. Moreover, we show that the convergence rate is independent of the depth, theoretically justifying the advantage of ResNet over vanilla feedforward network. Empirically, with such a factor $\tau$, one can train deep ResNet without normalization layer. Moreover, for ResNets with normalization layer, adding such a factor $\tau$ also stabilizes the training and obtains significant performance gain for deep ResNet.

Anomaly detection methods are part of the systems where rare events may endanger an operation's profitability, safety, and environmental aspects. Although many state-of-the-art anomaly detection methods were developed to date, their deployment is limited to the operation conditions present during the model training. Online anomaly detection brings the capability to adapt to data drifts and change points that may not be represented during model development resulting in prolonged service life. This paper proposes an online anomaly detection algorithm for existing real-time infrastructures where low-latency detection is required and novel patterns in data occur unpredictably. The online inverse cumulative distribution-based approach is introduced to eliminate common problems of offline anomaly detectors, meanwhile providing dynamic process limits to normal operation. The benefit of the proposed method is the ease of use, fast computation, and deployability as shown in two case studies of real microgrid operation data.

Latent variable discovery is a central problem in data analysis with a broad range of applications in applied science. In this work, we consider data given as an invertible mixture of two statistically independent components, and assume that one of the components is observed while the other is hidden. Our goal is to recover the hidden component. For this purpose, we propose an autoencoder equipped with a discriminator. Unlike the standard nonlinear ICA problem, which was shown to be non-identifiable, in the special case of ICA we consider here, we show that our approach can recover the component of interest up to entropy-preserving transformation. We demonstrate the performance of the proposed approach on several datasets, including image synthesis, voice cloning, and fetal ECG extraction.

Mediation analysis learns the causal effect transmitted via mediator variables between treatments and outcomes and receives increasing attention in various scientific domains to elucidate causal relations. Most existing works focus on point-exposure studies where each subject only receives one treatment at a single time point. However, there are a number of applications (e.g., mobile health) where the treatments are sequentially assigned over time and the dynamic mediation effects are of primary interest. Proposing a reinforcement learning (RL) framework, we are the first to evaluate dynamic mediation effects in settings with infinite horizons. We decompose the average treatment effect into an immediate direct effect, an immediate mediation effect, a delayed direct effect, and a delayed mediation effect. Upon the identification of each effect component, we further develop robust and semi-parametrically efficient estimators under the RL framework to infer these causal effects. The superior performance of the proposed method is demonstrated through extensive numerical studies, theoretical results, and an analysis of a mobile health dataset.

We present a physics-constrained neural network (PCNN) approach to solving Maxwell's equations for the electromagnetic fields of intense relativistic charged particle beams. We create a 3D convolutional PCNN to map time-varying current and charge densities J(r,t) and p(r,t) to vector and scalar potentials A(r,t) and V(r,t) from which we generate electromagnetic fields according to Maxwell's equations: B=curl(A), E=-div(V)-dA/dt. Our PCNNs satisfy hard constraints, such as div(B)=0, by construction. Soft constraints push A and V towards satisfying the Lorenz gauge.

Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such as images. Yet, we lack a quantitative understanding of how such structure affects performance, e.g. the rate of decay of the generalisation error with the number of training samples. In this paper, we study deep CNNs in the kernel regime. First, we show that the spectrum of the corresponding kernel inherits the hierarchical structure of the network, and we characterise its asymptotics. Then, we use this result together with generalisation bounds to prove that deep CNNs adapt to the spatial scale of the target function. In particular, we find that if the target function depends on low-dimensional subsets of adjacent input variables, then the rate of decay of the error is controlled by the effective dimensionality of these subsets. Conversely, if the target function depends on the full set of input variables, then the error rate is inversely proportional to the input dimension. We conclude by computing the rate when a deep CNN is trained on the output of another deep CNN with randomly-initialised parameters. Interestingly, we find that, despite their hierarchical structure, the functions generated by deep CNNs are too rich to be efficiently learnable in high dimension.

The canonical algorithm for differentially private mean estimation is to first clip the samples to a bounded range and then add noise to their empirical mean. Clipping controls the sensitivity and, hence, the variance of the noise that we add for privacy. But clipping also introduces statistical bias. We prove that this tradeoff is inherent: no algorithm can simultaneously have low bias, low variance, and low privacy loss for arbitrary distributions. On the positive side, we show that unbiased mean estimation is possible under approximate differential privacy if we assume that the distribution is symmetric. Furthermore, we show that, even if we assume that the data is sampled from a Gaussian, unbiased mean estimation is impossible under pure or concentrated differential privacy.

We introduce a joint diffusion model that simultaneously learns meaningful internal representations fit for both generative and predictive tasks. Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the usefulness of internal representations built by contemporary deep diffusion-based generative models in both generative and predictive settings. We then introduce an extension of the vanilla diffusion model with a classifier that allows for stable joint training with shared parametrization between those objectives. The resulting joint diffusion model offers superior performance across various tasks, including generative modeling, semi-supervised classification, and domain adaptation.

Stein thinning is a promising algorithm proposed by (Riabiz et al., 2022) for post-processing outputs of Markov chain Monte Carlo (MCMC). The main principle is to greedily minimize the kernelized Stein discrepancy (KSD), which only requires the gradient of the log-target distribution, and is thus well-suited for Bayesian inference. The main advantages of Stein thinning are the automatic remove of the burn-in period, the correction of the bias introduced by recent MCMC algorithms, and the asymptotic properties of convergence towards the target distribution. Nevertheless, Stein thinning suffers from several empirical pathologies, which may result in poor approximations, as observed in the literature. In this article, we conduct a theoretical analysis of these pathologies, to clearly identify the mechanisms at stake, and suggest improved strategies. Then, we introduce the regularized Stein thinning algorithm to alleviate the identified pathologies. Finally, theoretical guarantees and extensive experiments show the high efficiency of the proposed algorithm.

We propose a novel Bayesian inference framework for distributed differentially private linear regression. We consider a distributed setting where multiple parties hold parts of the data and share certain summary statistics of their portions in privacy-preserving noise. We develop a novel generative statistical model for privately shared statistics, which exploits a useful distributional relation between the summary statistics of linear regression. Bayesian estimation of the regression coefficients is conducted mainly using Markov chain Monte Carlo algorithms, while we also provide a fast version to perform Bayesian estimation in one iteration. The proposed methods have computational advantages over their competitors. We provide numerical results on both real and simulated data, which demonstrate that the proposed algorithms provide well-rounded estimation and prediction.

In combinatorial causal bandits (CCB), the learning agent chooses a subset of variables in each round to intervene and collects feedback from the observed variables to minimize expected regret or sample complexity. Previous works study this problem in both general causal models and binary generalized linear models (BGLMs). However, all of them require prior knowledge of causal graph structure. This paper studies the CCB problem without the graph structure on binary general causal models and BGLMs. We first provide an exponential lower bound of cumulative regrets for the CCB problem on general causal models. To overcome the exponentially large space of parameters, we then consider the CCB problem on BGLMs. We design a regret minimization algorithm for BGLMs even without the graph skeleton and show that it still achieves $O(\sqrt{T}\ln T)$ expected regret. This asymptotic regret is the same as the state-of-art algorithms relying on the graph structure. Moreover, we sacrifice the regret to $O(T^{\frac{2}{3}}\ln T)$ to remove the weight gap covered by the asymptotic notation. At last, we give some discussions and algorithms for pure exploration of the CCB problem without the graph structure.

Simulation-based inference (SBI) techniques are now an essential tool for the parameter estimation of mechanistic and simulatable models with intractable likelihoods. Statistical approaches to SBI such as approximate Bayesian computation and Bayesian synthetic likelihood have been well studied in the well specified and misspecified settings. However, most implementations are inefficient in that many model simulations are wasted. Neural approaches such as sequential neural likelihood (SNL) have been developed that exploit all model simulations to build a surrogate of the likelihood function. However, SNL approaches have been shown to perform poorly under model misspecification. In this paper, we develop a new method for SNL that is robust to model misspecification and can identify areas where the model is deficient. We demonstrate the usefulness of the new approach on several illustrative examples.

Recent work has shown that automatic differentiation over the reals is almost always correct in a mathematically precise sense. However, actual programs work with machine-representable numbers (e.g., floating-point numbers), not reals. In this paper, we study the correctness of automatic differentiation when the parameter space of a neural network consists solely of machine-representable numbers. For a neural network with bias parameters, we prove that automatic differentiation is correct at all parameters where the network is differentiable. In contrast, it is incorrect at all parameters where the network is non-differentiable, since it never informs non-differentiability. To better understand this non-differentiable set of parameters, we prove a tight bound on its size, which is linear in the number of non-differentiabilities in activation functions, and provide a simple necessary and sufficient condition for a parameter to be in this set. We further prove that automatic differentiation always computes a Clarke subderivative, even on the non-differentiable set. We also extend these results to neural networks possibly without bias parameters.

Motivated by concerns about making online decisions that incur undue amount of risk at each time step, in this paper, we formulate the probably anytime-safe stochastic combinatorial semi-bandits problem. In this problem, the agent is given the option to select a subset of size at most $K$ from a set of $L$ ground items. Each item is associated to a certain mean reward as well as a variance that represents its risk. To mitigate the risk that the agent incurs, we require that with probability at least $1-\delta$, over the entire horizon of time $T$, each of the choices that the agent makes should contain items whose sum of variances does not exceed a certain variance budget. We call this probably anytime-safe constraint. Under this constraint, we design and analyze an algorithm {\sc PASCombUCB} that minimizes the regret over the horizon of time $T$. By developing accompanying information-theoretic lower bounds, we show under both the problem-dependent and problem-independent paradigms, {\sc PASCombUCB} is almost asymptotically optimal. Our problem setup, the proposed {\sc PASCombUCB} algorithm, and novel analyses are applicable to domains such as recommendation systems and transportation in which an agent is allowed to choose multiple items at a single time step and wishes to control the risk over the whole time horizon.

To date, no "information-theoretic" frameworks for reasoning about generalization error have been shown to establish minimax rates for gradient descent in the setting of stochastic convex optimization. In this work, we consider the prospect of establishing such rates via several existing information-theoretic frameworks: input-output mutual information bounds, conditional mutual information bounds and variants, PAC-Bayes bounds, and recent conditional variants thereof. We prove that none of these bounds are able to establish minimax rates. We then consider a common tactic employed in studying gradient methods, whereby the final iterate is corrupted by Gaussian noise, producing a noisy "surrogate" algorithm. We prove that minimax rates cannot be established via the analysis of such surrogates. Our results suggest that new ideas are required to analyze gradient descent using information-theoretic techniques.

We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of these kernels among the class of weight-independent geometrically-coupled positive random feature (PRF) mechanisms, substantially outperforming the previously most accurate Orthogonal Random Features at no observable extra cost. We present a more computationally expensive SimRFs+ variant, which we prove is asymptotically optimal in the broader family of weight-dependent geometrical coupling schemes (which permit correlations between random vector directions and norms). In extensive empirical studies, we show consistent gains provided by SimRFs in settings including pointwise kernel estimation, nonparametric classification and scalable Transformers.

Independence testing is a fundamental and classical statistical problem that has been extensively studied in the batch setting when one fixes the sample size before collecting data. However, practitioners often prefer procedures that adapt to the complexity of a problem at hand instead of setting sample size in advance. Ideally, such procedures should (a) allow stopping earlier on easy tasks (and later on harder tasks), hence making better use of available resources, and (b) continuously monitor the data and efficiently incorporate statistical evidence after collecting new data, while controlling the false alarm rate. It is well known that classical batch tests are not tailored for streaming data settings: valid inference after data peeking requires correcting for multiple testing but such corrections generally result in low power. Following the principle of testing by betting, we design sequential kernelized independence tests (SKITs) that overcome such shortcomings. We exemplify our broad framework using bets inspired by kernelized dependence measures, e.g, the Hilbert-Schmidt independence criterion. Our test is valid under non-i.i.d. time-varying settings, for which there exist no batch tests. We demonstrate the power of our approaches on both simulated and real data.

While it is tempting to believe that data distillation preserves privacy, distilled data's empirical robustness against known attacks does not imply a provable privacy guarantee. Here, we develop a provably privacy-preserving data distillation algorithm, called differentially private kernel inducing points (DP-KIP). DP-KIP is an instantiation of DP-SGD on kernel ridge regression (KRR). Following a recent work, we use neural tangent kernels and minimize the KRR loss to estimate the distilled datapoints (i.e., kernel inducing points). We provide a computationally efficient JAX implementation of DP-KIP, which we test on several popular image and tabular datasets to show its efficacy in data distillation with differential privacy guarantees.

Population-wise matching of the cortical fold is necessary to identify biomarkers of neurological or psychiatric disorders. The difficulty comes from the massive interindividual variations in the morphology and spatial organization of the folds. This task is challenging at both methodological and conceptual levels. In the widely used registration-based techniques, these variations are considered as noise and the matching of folds is only implicit. Alternative approaches are based on the extraction and explicit identification of the cortical folds. In particular, representing cortical folding patterns as graphs of sulcal basins-termed sulcal graphs-enables to formalize the task as a graph-matching problem. In this paper, we propose to address the problem of sulcal graph matching directly at the population level using multi-graph matching techniques. First, we motivate the relevance of multi-graph matching framework in this context. We then introduce a procedure to generate populations of artificial sulcal graphs, which allows us benchmarking several state of the art multi-graph matching methods. Our results on both artificial and real data demonstrate the effectiveness of multi-graph matching techniques to obtain a population-wise consistent labeling of cortical folds at the sulcal basins level.

Personalization and decentralization are two major lines of studies to realize practical federated learning in the real world. The aim of this study is to establish a general and unified approach that can solve these two problems simultaneously. In this work, we first propose a bilevel problem that can adapt to various personalization scenarios by allowing an arbitrary choice of two parameters: a client-wise outer-parameter representing heterogeneity, and a shared inner-parameter representing homogeneity across client data distributions. We then present an algorithm that can solve this bilevel problem in a decentralized manner by estimating gradients of clients' outer-costs with respect to their outer-parameters. We show that the proposed algorithm can be extended to handle a random directed network, which is one of the most robust decentralized communication classes. The proposed method achieves state-of-the-art performance on a personalization benchmark across various communication settings.

The last decade witnessed a growing interest in Bayesian learning. Yet, the technicality of the topic and the multitude of ingredients involved therein, besides the complexity of turning theory into practical implementations, limit the use of the Bayesian learning paradigm, preventing its widespread adoption across different fields and applications. This self-contained survey engages and introduces readers to the principles and algorithms of Bayesian Learning for Neural Networks. It provides an introduction to the topic from an accessible, practical-algorithmic perspective. Upon providing a general introduction to Bayesian Neural Networks, we discuss and present both standard and recent approaches for Bayesian inference, with an emphasis on solutions relying on Variational Inference and the use of Natural gradients. We also discuss the use of manifold optimization as a state-of-the-art approach to Bayesian learning. We examine the characteristic properties of all the discussed methods, and provide pseudo-codes for their implementation, paying attention to practical aspects, such as the computation of the gradients.

We study variance-dependent regret bounds for Markov decision processes (MDPs). Algorithms with variance-dependent regret guarantees can automatically exploit environments with low variance (e.g., enjoying constant regret on deterministic MDPs). The existing algorithms are either variance-independent or suboptimal. We first propose two new environment norms to characterize the fine-grained variance properties of the environment. For model-based methods, we design a variant of the MVP algorithm (Zhang et al., 2021a) and use new analysis techniques show to this algorithm enjoys variance-dependent bounds with respect to our proposed norms. In particular, this bound is simultaneously minimax optimal for both stochastic and deterministic MDPs, the first result of its kind. We further initiate the study on model-free algorithms with variance-dependent regret bounds by designing a reference-function-based algorithm with a novel capped-doubling reference update schedule. Lastly, we also provide lower bounds to complement our upper bounds.  ( 2 min )

Continuous pseudo-labeling (PL) algorithms such as slimIPL have recently emerged as a powerful strategy for semi-supervised learning in speech recognition. In contrast with earlier strategies that alternated between training a model and generating pseudo-labels (PLs) with it, here PLs are generated in end-to-end manner as training proceeds, improving training speed and the accuracy of the final model. PL shares a common theme with teacher-student models such as distillation in that a teacher model generates targets that need to be mimicked by the student model being trained. However, interestingly, PL strategies in general use hard-labels, whereas distillation uses the distribution over labels as the target to mimic. Inspired by distillation we expect that specifying the whole distribution (aka soft-labels) over sequences as the target for unlabeled data, instead of a single best pass pseudo-labeled transcript (hard-labels) should improve PL performance and convergence. Surprisingly and unexpectedly, we find that soft-labels targets can lead to training divergence, with the model collapsing to a degenerate token distribution per frame. We hypothesize that the reason this does not happen with hard-labels is that training loss on hard-labels imposes sequence-level consistency that keeps the model from collapsing to the degenerate solution. In this paper, we show several experiments that support this hypothesis, and experiment with several regularization approaches that can ameliorate the degenerate collapse when using soft-labels. These approaches can bring the accuracy of soft-labels closer to that of hard-labels, and while they are unable to outperform them yet, they serve as a useful framework for further improvements.  ( 2 min )

Recent work has shown that, in generative modeling, cross-entropy loss improves smoothly with model size and training compute, following a power law plus constant scaling law. One challenge in extending these results to reinforcement learning is that the main performance objective of interest, mean episode return, need not vary smoothly. To overcome this, we introduce *intrinsic performance*, a monotonic function of the return defined as the minimum compute required to achieve the given return across a family of models of different sizes. We find that, across a range of environments, intrinsic performance scales as a power law in model size and environment interactions. Consequently, as in generative modeling, the optimal model size scales as a power law in the training compute budget. Furthermore, we study how this relationship varies with the environment and with other properties of the training setup. In particular, using a toy MNIST-based environment, we show that varying the "horizon length" of the task mostly changes the coefficient but not the exponent of this relationship.  ( 2 min )

Consider the problem of estimating the causal effect of some attribute of a text document; for example: what effect does writing a polite vs. rude email have on response time? To estimate a causal effect from observational data, we need to adjust for confounding aspects of the text that affect both the treatment and outcome -- e.g., the topic or writing level of the text. These confounding aspects are unknown a priori, so it seems natural to adjust for the entirety of the text (e.g., using a transformer). However, causal identification and estimation procedures rely on the assumption of overlap: for all levels of the adjustment variables, there is randomness leftover so that every unit could have (not) received treatment. Since the treatment here is itself an attribute of the text, it is perfectly determined, and overlap is apparently violated. The purpose of this paper is to show how to handle causal identification and obtain robust causal estimation in the presence of apparent overlap violations. In brief, the idea is to use supervised representation learning to produce a data representation that preserves confounding information while eliminating information that is only predictive of the treatment. This representation then suffices for adjustment and can satisfy overlap. Adapting results on non-parametric estimation, we find that this procedure is robust to conditional outcome misestimation, yielding a low-bias estimator with valid uncertainty quantification under weak conditions. Empirical results show strong improvements in bias and uncertainty quantification relative to the natural baseline.  ( 2 min )

There are many frameworks for deep generative modeling, each often presented with their own specific training algorithms and inference methods. Here, we demonstrate the connections between existing deep generative models and the recently introduced GFlowNet framework, a probabilistic inference machine which treats sampling as a decision-making process. This analysis sheds light on their overlapping traits and provides a unifying viewpoint through the lens of learning with Markovian trajectories. Our framework provides a means for unifying training and inference algorithms, and provides a route to shine a unifying light over many generative models. Beyond this, we provide a practical and experimentally verified recipe for improving generative modeling with insights from the GFlowNet perspective.  ( 2 min )

Self-distillation (SD) is the process of first training a \enquote{teacher} model and then using its predictions to train a \enquote{student} model with the \textit{same} architecture. Specifically, the student's objective function is $\big(\xi*\ell(\text{teacher's predictions}, \text{ student's predictions}) + (1-\xi)*\ell(\text{given labels}, \text{ student's predictions})\big)$, where $\ell$ is some loss function and $\xi$ is some parameter $\in [0,1]$. Empirically, SD has been observed to provide performance gains in several settings. In this paper, we theoretically characterize the effect of SD in two supervised learning problems with \textit{noisy labels}. We first analyze SD for regularized linear regression and show that in the high label noise regime, the optimal value of $\xi$ that minimizes the expected error in estimating the ground truth parameter is surprisingly greater than 1. Empirically, we show that $\xi > 1$ works better than $\xi \leq 1$ even with the cross-entropy loss for several classification datasets when 50\% or 30\% of the labels are corrupted. Further, we quantify when optimal SD is better than optimal regularization. Next, we analyze SD in the case of logistic regression for binary classification with random label corruption and quantify the range of label corruption in which the student outperforms the teacher in terms of accuracy. To our knowledge, this is the first result of its kind for the cross-entropy loss.  ( 2 min )

We introduce an unsupervised learning approach that combines the truncated singular value decomposition with convex clustering to estimate within-cluster directions of maximum variance/covariance (in the variables) while simultaneously hierarchically clustering (on observations). In contrast to previous work on joint clustering and embedding, our approach has a straightforward formulation, is readily scalable via distributed optimization, and admits a direct interpretation as hierarchically clustered principal component analysis (PCA), hierarchically clustered locally linear embedding (LLE), or hierarchically clustered canonical correlation analysis (CCA). Through numerical experiments and real-world examples relevant to precision medicine, we show that our approach outperforms traditional and contemporary clustering methods on both underdetermined problems ($p \gg N$ with tens of observations) and on large datasets (e.g., $N=100,000$) while yielding interpretable dendrograms of hierarchical per-cluster principal components or canonical variates.  ( 2 min )

Trustworthy machine learning aims at combating distributional uncertainties in training data distributions compared to population distributions. Typical treatment frameworks include the Bayesian approach, (min-max) distributionally robust optimization (DRO), and regularization. However, two issues have to be raised: 1) All these methods are biased estimators of the true optimal cost; 2) the prior distribution in the Bayesian method, the radius of the distributional ball in the DRO method, and the regularizer in the regularization method are difficult to specify. This paper studies a new framework that unifies the three approaches and that addresses the two challenges mentioned above. The asymptotic properties (e.g., consistency and asymptotic normalities), non-asymptotic properties (e.g., unbiasedness and generalization error bound), and a Monte--Carlo-based solution method of the proposed model are studied. The new model reveals the trade-off between the robustness to the unseen data and the specificity to the training data.  ( 2 min )

Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that quantitative structure-activity relationship (QSAR) models struggle to predict ACs and that ACs thus form a major source of prediction error. However, a study to explore the AC-prediction power of modern QSAR methods and its relationship to general QSAR-prediction performance is lacking. We systematically construct nine distinct QSAR models by combining three molecular representation methods (extended-connectivity fingerprints, physicochemical-descriptor vectors and graph isomorphism networks) with three regression techniques (random forests, k-nearest neighbours and multilayer perceptrons); we then use each resulting model to classify pairs of similar compounds as ACs or non-ACs and to predict the activities of individual molecules in three case studies: dopamine receptor D2, factor Xa, and SARS-CoV-2 main protease. We observe low AC-sensitivity amongst the tested models when the activities of both compounds are unknown, but a substantial increase in AC-sensitivity when the actual activity of one of the compounds is given. Graph isomorphism features are found to be competitive with or superior to classical molecular representations for AC-classification and can thus be employed as baseline AC-prediction models or simple compound-optimisation tools. For general QSAR-prediction, however, extended-connectivity fingerprints still consistently deliver the best performance. Our results provide strong support for the hypothesis that indeed QSAR methods frequently fail to predict ACs. We propose twin-network training for deep learning models as a potential future pathway to increase AC-sensitivity and thus overall QSAR performance.

We introduce a computational efficient data-driven framework suitable for quantifying the uncertainty in physical parameters and model formulation of computer models, represented by differential equations. We construct physics-informed priors, which are multi-output GP priors that encode the model's structure in the covariance function. This is extended into a fully Bayesian framework that quantifies the uncertainty of physical parameters and model predictions. Since physical models often are imperfect descriptions of the real process, we allow the model to deviate from the observed data by considering a discrepancy function. For inference, Hamiltonian Monte Carlo is used. Further, approximations for big data are developed that reduce the computational complexity from $\mathcal{O}(N^3)$ to $\mathcal{O}(N\cdot m^2),$ where $m \ll N.$ Our approach is demonstrated in simulation and real data case studies where the physics are described by time-dependent ODEs describe (cardiovascular models) and space-time dependent PDEs (heat equation). In the studies, it is shown that our modelling framework can recover the true parameters of the physical models in cases where 1) the reality is more complex than our modelling choice and 2) the data acquisition process is biased while also producing accurate predictions. Furthermore, it is demonstrated that our approach is computationally faster than traditional Bayesian calibration methods.  ( 2 min )

Mixtures of experts (MoE) models are a popular framework for modeling heterogeneity in data, for both regression and classification problems in statistics and machine learning, due to their flexibility and the abundance of available statistical estimation and model choice tools. Such flexibility comes from allowing the mixture weights (or gating functions) in the MoE model to depend on the explanatory variables, along with the experts (or component densities). This permits the modeling of data arising from more complex data generating processes when compared to the classical finite mixtures and finite mixtures of regression models, whose mixing parameters are independent of the covariates. The use of MoE models in a high-dimensional setting, when the number of explanatory variables can be much larger than the sample size, is challenging from a computational point of view, and in particular from a theoretical point of view, where the literature is still lacking results for dealing with the curse of dimensionality, for both the statistical estimation and feature selection problems. We consider the finite MoE model with soft-max gating functions and Gaussian experts for high-dimensional regression on heterogeneous data, and its $l_1$-regularized estimation via the Lasso. We focus on the Lasso estimation properties rather than its feature selection properties. We provide a lower bound on the regularization parameter of the Lasso function that ensures an $l_1$-oracle inequality satisfied by the Lasso estimator according to the Kullback--Leibler loss.  ( 2 min )

Robustness and safety are critical for the trustworthy deployment of deep reinforcement learning in real-world decision making applications. In particular, we require algorithms that can guarantee robust, safe performance in the presence of general environment disturbances, while making limited assumptions on the data collection process during training. In this work, we propose a safe reinforcement learning framework with robustness guarantees through the use of an optimal transport cost uncertainty set. We provide an efficient, theoretically supported implementation based on Optimal Transport Perturbations, which can be applied in a completely offline fashion using only data collected in a nominal training environment. We demonstrate the robust, safe performance of our approach on a variety of continuous control tasks with safety constraints in the Real-World Reinforcement Learning Suite.  ( 2 min )

Machine learning methods can be unreliable when deployed in domains that differ from the domains on which they were trained. There are a wide range of proposals for mitigating this problem by learning representations that are ``invariant'' in some sense.However, these methods generally contradict each other, and none of them consistently improve performance on real-world domain shift benchmarks. There are two main questions that must be addressed to understand when, if ever, we should use each method. First, how does each ad hoc notion of ``invariance'' relate to the structure of real-world problems? And, second, when does learning invariant representations actually yield robust models? To address these issues, we introduce a broad formal notion of what it means for a real-world domain shift to admit invariant structure. Then, we characterize the causal structures that are compatible with this notion of invariance.With this in hand, we find conditions under which method-specific invariance notions correspond to real-world invariant structure, and we clarify the relationship between invariant structure and robustness to domain shifts. For both questions, we find that the true underlying causal structure of the data plays a critical role.  ( 2 min )

The R package DoubleML implements the double/debiased machine learning framework of Chernozhukov et al. (2018). It provides functionalities to estimate parameters in causal models based on machine learning methods. The double machine learning framework consist of three key ingredients: Neyman orthogonality, high-quality machine learning estimation and sample splitting. Estimation of nuisance components can be performed by various state-of-the-art machine learning methods that are available in the mlr3 ecosystem. DoubleML makes it possible to perform inference in a variety of causal models, including partially linear and interactive regression models and their extensions to instrumental variable estimation. The object-oriented implementation of DoubleML enables a high flexibility for the model specification and makes it easily extendable. This paper serves as an introduction to the double machine learning framework and the R package DoubleML. In reproducible code examples with simulated and real data sets, we demonstrate how DoubleML users can perform valid inference based on machine learning methods.  ( 2 min )

In this work we study the robustness to adversarial attacks, of early-stopping strategies on gradient-descent (GD) methods for linear regression. More precisely, we show that early-stopped GD is optimally robust (up to an absolute constant) against Euclidean-norm adversarial attacks. However, we show that this strategy can be arbitrarily sub-optimal in the case of general Mahalanobis attacks. This observation is compatible with recent findings in the case of classification~\cite{Vardi2022GradientMP} that show that GD provably converges to non-robust models. To alleviate this issue, we propose to apply instead a GD scheme on a transformation of the data adapted to the attack. This data transformation amounts to apply feature-depending learning rates and we show that this modified GD is able to handle any Mahalanobis attack, as well as more general attacks under some conditions. Unfortunately, choosing such adapted transformations can be hard for general attacks. To the rescue, we design a simple and tractable estimator whose adversarial risk is optimal up to within a multiplicative constant of 1.1124 in the population regime, and works for any norm.  ( 2 min )

POMDPs capture a broad class of decision making problems, but hardness results suggest that learning is intractable even in simple settings due to the inherent partial observability. However, in many realistic problems, more information is either revealed or can be computed during some point of the learning process. Motivated by diverse applications ranging from robotics to data center scheduling, we formulate a \setting (\setshort) as a POMDP where the latent states are revealed to the learner in hindsight and only during training. We introduce new algorithms for the tabular and function approximation settings that are provably sample-efficient with hindsight observability, even in POMDPs that would otherwise be statistically intractable. We give a lower bound showing that the tabular algorithm is optimal in its dependence on latent state and observation cardinalities.  ( 2 min )

We investigate unbiased high-dimensional mean estimators in differential privacy. We consider differentially private mechanisms whose expected output equals the mean of the input dataset, for every dataset drawn from a fixed convex domain $K$ in $\mathbb{R}^d$. In the setting of concentrated differential privacy, we show that, for every input such an unbiased mean estimator introduces approximately at least as much error as a mechanism that adds Gaussian noise with a carefully chosen covariance. This is true when the error is measured with respect to $\ell_p$ error for any $p \ge 2$. We extend this result to local differential privacy, and to approximate differential privacy, but for the latter the error lower bound holds either for a dataset or for a neighboring dataset. We also extend our results to mechanisms that take i.i.d.~samples from a distribution over $K$ and are unbiased with respect to the mean of the distribution.  ( 2 min )

Given a dataset on actions and resulting long-term rewards, a direct estimation approach fits value functions that minimize prediction error on the training data. Temporal difference learning (TD) methods instead fit value functions by minimizing the degree of temporal inconsistency between estimates made at successive time-steps. Focusing on finite state Markov chains, we provide a crisp asymptotic theory of the statistical advantages of this approach. First, we show that an intuitive inverse trajectory pooling coefficient completely characterizes the percent reduction in mean-squared error of value estimates. Depending on problem structure, the reduction could be enormous or nonexistent. Next, we prove that there can be dramatic improvements in estimates of the difference in value-to-go for two states: TD's errors are bounded in terms of a novel measure - the problem's trajectory crossing time - which can be much smaller than the problem's time horizon.  ( 2 min )

As machine learning (ML) algorithms are increasingly used in high-stakes applications, concerns have arisen that they may be biased against certain social groups. Although many approaches have been proposed to make ML models fair, they typically rely on the assumption that data distributions in training and deployment are identical. Unfortunately, this is commonly violated in practice and a model that is fair during training may lead to an unexpected outcome during its deployment. Although the problem of designing robust ML models under dataset shifts has been widely studied, most existing works focus only on the transfer of accuracy. In this paper, we study the transfer of both fairness and accuracy under domain generalization where the data at test time may be sampled from never-before-seen domains. We first develop theoretical bounds on the unfairness and expected loss at deployment, and then derive sufficient conditions under which fairness and accuracy can be perfectly transferred via invariant representation learning. Guided by this, we design a learning algorithm such that fair ML models learned with training data still have high fairness and accuracy when deployment environments change. Experiments on real-world data validate the proposed algorithm. Model implementation is available at https://github.com/pth1993/FATDM.  ( 2 min )

Cross-modality data translation has attracted great interest in image computing. Deep generative models (\textit{e.g.}, GANs) show performance improvement in tackling those problems. Nevertheless, as a fundamental challenge in image translation, the problem of Zero-shot-Learning Cross-Modality Data Translation with fidelity remains unanswered. This paper proposes a new unsupervised zero-shot-learning method named Mutual Information guided Diffusion cross-modality data translation Model (MIDiffusion), which learns to translate the unseen source data to the target domain. The MIDiffusion leverages a score-matching-based generative model, which learns the prior knowledge in the target domain. We propose a differentiable local-wise-MI-Layer ($LMI$) for conditioning the iterative denoising sampling. The $LMI$ captures the identical cross-modality features in the statistical domain for the diffusion guidance; thus, our method does not require retraining when the source domain is changed, as it does not rely on any direct mapping between the source and target domains. This advantage is critical for applying cross-modality data translation methods in practice, as a reasonable amount of source domain dataset is not always available for supervised training. We empirically show the advanced performance of MIDiffusion in comparison with an influential group of generative models, including adversarial-based and other score-matching-based models.  ( 2 min )

The edge-of-chaos dynamics of wide randomly initialized low-rank feedforward networks are analyzed. Formulae for the optimal weight and bias variances are extended from the full-rank to low-rank setting and are shown to follow from multiplicative scaling. The principle second order effect, the variance of the input-output Jacobian, is derived and shown to increase as the rank to width ratio decreases. These results inform practitioners how to randomly initialize feedforward networks with a reduced number of learnable parameters while in the same ambient dimension, allowing reductions in the computational cost and memory constraints of the associated network.  ( 2 min )

Any representation of data involves arbitrary investigator choices. Because those choices are external to the data-generating process, each choice leads to an exact symmetry, corresponding to the group of transformations that takes one possible representation to another. These are the passive symmetries; they include coordinate freedom, gauge symmetry and units covariance, all of which have led to important results in physics. Our goal is to understand the implications of passive symmetries for machine learning: Which passive symmetries play a role (e.g., permutation symmetry in graph neural networks)? What are dos and don'ts in machine learning practice? We assay conditions under which passive symmetries can be implemented as group equivariances. We also discuss links to causal modeling, and argue that the implementation of passive symmetries is particularly valuable when the goal of the learning problem is to generalize out of sample. While this paper is purely conceptual, we believe that it can have a significant impact on helping machine learning make the transition that took place for modern physics in the first half of the Twentieth century.  ( 2 min )

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.  ( 2 min )

Neural networks have recently shown promise for likelihood-free inference, providing orders-of-magnitude speed-ups over classical methods. However, current implementations are suboptimal when estimating parameters from independent replicates. In this paper, we use a decision-theoretic framework to argue that permutation-invariant neural networks are ideally placed for constructing Bayes estimators for arbitrary models, provided that simulation from these models is straightforward. We show that the resulting neural Bayes estimators can quickly and optimally estimate parameters in weakly-identified and highly-parameterised models with relative ease, and that they are highly competitive and much faster than traditional likelihood-based estimators. We apply our estimator on a spatial analysis of sea-surface temperature in the Red Sea where, after training, we obtain parameter estimates, and uncertainty quantification of the estimates via bootstrap sampling, from hundreds of spatial fields in a fraction of a second.  ( 2 min )

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep generative models. A key issue with these models is their tendency to output samples outside of the support of the target distribution when learning disconnected distributions. We investigate the relationship between the performance of these models and the geometry of their latent space. Building on recent developments in geometric measure theory, we prove a sufficient condition for optimality in the case where the dimension of the latent space is larger than the number of modes. Through experiments on GANs, we demonstrate the validity of our theoretical results and gain new insights into the latent space geometry of these models. Additionally, we propose a truncation method that enforces a simplicial cluster structure in the latent space and improves the performance of GANs.  ( 2 min )

Gaussian processes are arguably the most important model class in spatial statistics. They encode prior information about the modeled function and can be used for exact or approximate Bayesian inference. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.  ( 2 min )

Evaluating the performance of machine learning models under distribution shift is challenging, especially when we only have unlabeled data from the shifted (target) domain, along with labeled data from the original (source) domain. Recent work suggests that the notion of disagreement, the degree to which two models trained with different randomness differ on the same input, is a key to tackle this problem. Experimentally, disagreement and prediction error have been shown to be strongly connected, which has been used to estimate model performance. Experiments have lead to the discovery of the disagreement-on-the-line phenomenon, whereby the classification error under the target domain is often a linear function of the classification error under the source domain; and whenever this property holds, disagreement under the source and target domain follow the same linear relation. In this work, we develop a theoretical foundation for analyzing disagreement in high-dimensional random features regression; and study under what conditions the disagreement-on-the-line phenomenon occurs in our setting. Experiments on CIFAR-10-C, Tiny ImageNet-C, and Camelyon17 are consistent with our theory and support the universality of the theoretical findings.  ( 2 min )

Probabilistic graphical models (PGMs) provide a compact and flexible framework to model very complex real-life phenomena. They combine the probability theory which deals with uncertainty and logical structure represented by a graph which allows one to cope with the computational complexity and also interpret and communicate the obtained knowledge. In the thesis, we consider two different types of PGMs: Bayesian networks (BNs) which are static, and continuous time Bayesian networks which, as the name suggests, have a temporal component. We are interested in recovering their true structure, which is the first step in learning any PGM. This is a challenging task, which is interesting in itself from the causal point of view, for the purposes of interpretation of the model and the decision-making process. All approaches for structure learning in the thesis are united by the same idea of maximum likelihood estimation with the LASSO penalty. The problem of structure learning is reduced to the problem of finding non-zero coefficients in the LASSO estimator for a generalized linear model. In the case of CTBNs, we consider the problem both for complete and incomplete data. We support the theoretical results with experiments.  ( 2 min )

We study the canonical statistical estimation problem of linear regression from $n$ i.i.d.~examples under $(\varepsilon,\delta)$-differential privacy when some response variables are adversarially corrupted. We propose a variant of the popular differentially private stochastic gradient descent (DP-SGD) algorithm with two innovations: a full-batch gradient descent to improve sample complexity and a novel adaptive clipping to guarantee robustness. When there is no adversarial corruption, this algorithm improves upon the existing state-of-the-art approach and achieves a near optimal sample complexity. Under label-corruption, this is the first efficient linear regression algorithm to guarantee both $(\varepsilon,\delta)$-DP and robustness. Synthetic experiments confirm the superiority of our approach.  ( 2 min )

Hello! Does anyone know of a decent scholarly article on something relevant to this that they could share with me? ​ Thanks! :) submitted by /u/EvilPeppermintHelix [link] [comments]  ( 40 min )

There are numerous amazing AI-powered software/programs available, such as Wave2Lip on GitHub (which enables you to lip sync a video to any voice audio file), CascadeOur (which generates AI animations), or Google Film (which creates a seamless slow-motion effect from two distant frames). These programs possess tremendous potential, but how can I discover new ones? I'm sure there are many more out there that I am not aware of. Can you suggest any tips on how I can find them? submitted by /u/PM_ME_LIFE_MEANING [link] [comments]  ( 41 min )

I'm new to ML/RL and trying to build some intuition on how the fancy algorithms are made useful in practice. So far I was surprised how pairing SB3 + a gym environment frequently does nothing unless the right parameters are hit. So I've written a trivial mock environment: it "thinks" of a random target floating point number between -1 and 1 and a random state number in the same range. The observation (-2 to 2) is the difference between both. The (continous -1 to 1) action is added to the state The reward is the absolute value of the distance between current state and the target times -1, with a little negative bit added to "make the life painful" and enforce finishing Done is signaled once converged within 0.001, which is achievable within 1 to max. 2 steps depending on the reset state. So my thinking is: this is as easy as it gets - it does not matter how the algorithm explores or what it sees, the input to output relation is always exactly same. The actor simply needs to learn to forward the input to the output, which is seen learnable from every possible action. So it should train instantly with almost random choices of most hyperparameters - reward discount would not really matter, neither would most of the others, right? (I use PPO from SB3.) Yet I almost could not get it to work: it would behave wildly different with different n_env*n_steps sizes, learning and randomly unlearning again even with small learning_rates set. The cases I could find that work manually would take total_timesteps in a range of millions to finish consistently, and even then they would finish mostly in 2-4 steps rather then 1-2 in evaluation. Is such a problem really such sensitive or am I doing it wrong? Is there a way to actually train it within 10000s rather then millions of steps with PPO and if so, how to find from the train metrics? How could it be improved to converge more precisely? For anyone wanting to play around, code is attached below. submitted by /u/EvilButFluffy [link] [comments]  ( 45 min )

I'm using Huggingface's transformers regularly for experimentations, but I plan to deploy some of the models to iOS. I have found ml-ane-transformers repo from Apple, which shows how transformers can be rewritten to have much better performance on Apple's devices. There's an example of DistilBERT implemented in that optimized way. As I plan to deploy transformers to iOS, I started thinking about this. I'm hoping some already have experience about this, so we can discuss: Has anyone tried this themselves? Do they actually see the improvements in performance on iOS? I'm using Huggingface's transformer models in my experiments. How much work do you think there is to rewrite model in this optimized way? It's very difficult to train transformers from scratch (especially if they're big :) ), so I'm fine-tuning on top of pre-trained models on Huggingface. Is it possible to use weights from pretrained Huggingface models with the Apple's reference code? How difficult is it? submitted by /u/alkibijad [link] [comments]  ( 43 min )

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Hey, I'm trying to apply RL, precisely DQN, to recommender systems. I want to add a weighted bonus to my Q-function to favor some actions over others. This bonus is a function that depends on (s,a) just like the Q-function. Then, instead of deriving a greedy policy from the original Q, I derive a greedy policy for the bonused function Q'. For some reasons, I would really like to do this instead instead of modifying the reward function itself. My approach works well empirically, however I would want it to be more theoretically grounded. I think what I want ideally is to prove that Q' is optimal for some MDP with a slightly different reward function. And I surprisingly can't find papers doing that in the literature. There are some seemingly related things like Soft Actor Critic which adds an entropy bonus to the value function, but not much more. So, is it ok to tweak a Q-function like this? Is there something I should be careful of? Thank you for your help! submitted by /u/xalendrio [link] [comments]  ( 42 min )

Hey there 👋 We published the ⚔️ AI vs. AI challenge⚔️, a deep reinforcement learning multi-agents competition. You’ll learn about Multi-agent Reinforcement Learning (MARL), you’ll train your agents to play soccer and you’re going to participate in AI vs. AI challenge where your trained agent will compete against other classmates’ agents every day and be ranked on a new leaderboard. You don’t need to participate in the course to be able to participate in the competition. You can start here 👉 https://huggingface.co/deep-rl-course/unit7/introduction 🏆 The leaderboard 👉 https://huggingface.co/spaces/huggingface-projects/AIvsAI-SoccerTwos 👀 Visualize your agent competing with our demo 👉https://huggingface.co/spaces/unity/SoccerTwos We also created a discord channel, ai-vs-ai-competition to exchange with others and share advice, you can join our discord server here 👉 hf.co/discord/join https://preview.redd.it/4dc01ktqnlfa1.png?width=1920&format=png&auto=webp&s=c10ff68884683373c631648725aa166364d9494d If you have questions or feedback, I would love to answer them. submitted by /u/cranthir_ [link] [comments]  ( 41 min )

I am training a PPO agent and have added the appropriate info to my custom environment to log success rate. This now means I am getting logs from my evaluation of success rate but I am not getting this for rollouts. I expect this is due to my environment creation code. As far as I can tell I've done what the documentation says. Am I missing something? env = SubprocVecEnv([lambda: Monitor(SumoEnv(gui=gui), info_keywords=("is_success",)) for i in range(num_envs)], start_method="spawn") submitted by /u/centripetalstranger [link] [comments]  ( 41 min )

I’m currently using stable baselines3 and have 2 options in terms of action. Some acceleration values or a lane change. I broke this down into discrete actions. However, I want to use a continuous action space now and I can’t use a dict action space to keep the accelerations separate. Is it reasonable to make for example 1-3 in the continuous space represent accelerations and then 3-4 represent a lane change? By this I mean, should the agent pick 3.1, 3.2, 3.3, they will all result in a lane change. Will this cause issues? submitted by /u/centripetalstranger [link] [comments]  ( 42 min )

Hi, I have a technical interview incoming for a entry/mid level RL Engineer position. I have just finished my masters degree and have some experience in RL from previous internships. I am currently using CS 285 at UC Berkeley online lectures to prepare for the interview. I would really appreciate it if you can share the questions that you have faced or asked for similar positions or can recommend what specifics should I focus on for such interviews. submitted by /u/ZIGGY-Zz [link] [comments]  ( 42 min )

Hi I am trying to do classification (nope, it is one-step prediction and it is not sequence dependent). Question: the success of chatgpt, does this mean that we can also use RL (PPO) for just classification? My understanding is that we can just use supervised learning. Does PPO (RL) helps in this case? Thanks? submitted by /u/Dense-Smf-6032 [link] [comments]  ( 42 min )

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Hi, I’m trying to understand some basic concepts of RL. I’m developing a model that should predict the sum of future rewards for any given state (simplified version of bellman’s equation). Then it should compare the actual future reward and it’s prediction with the loss function and backpropagate. This seems to be pretty standard. What I’m not getting, is that when I’m generating my batch of data (for the offline training), I think that the standard should be to choose the action based on a categorical distribution of the predictions for each action (or use epsilon greedy). The problem is that if i have any negative prediction, even if it’s random, it will never reach that state and never update based on it. Is that right? Is it how it’s supposed to be or am I having the wrong concept of what the network should output. Thanks in advance! submitted by /u/enzodtz [link] [comments]  ( 44 min )

I am not an expert on policy learning or reinforcement learning， and I am studying this paper "https://openaccess.thecvf.com/content/ICCV2021/papers/Sun_Dynamic_Network_Quantization_for_Efficient_Video_Inference_ICCV_2021_paper.pdf" right now, but got confused by eq（11） The captial Omega is the action space and small "a_i" is the i-th action in a trajectory. T is the total number of actions in this trajectory，the small k is a selected action from the action space "Omega". I don't understand what symbol it is after the 2nd summation （\sum）in the equation, and I am not sure if it is an "L" or "I". Could someone provide some guidance on what the following function might mean, and why it can be used to achieve balanced policy usage? https://preview.redd.it/n4deietkaifa1.png?width=958&format=png&auto=webp&s=919453f2d7516bd2908c6a23fe6aa1e6fc04edf8 submitted by /u/AaronSpalding [link] [comments]  ( 43 min )

I am trying to write my own actor critic algorithm. Unlike other implementations, I tried to keep a separate actor and critic network. The problem arises somewhere in my actor or critic loss function ​ The error is originating here - advantage = nrml_disc_rewards-values critic_loss = advantage.pow(2).mean() actor_loss = -(torch.sum(torch.log(prob_batch)*advantage)) policy_opt.zero_grad() actor_loss.backward() policy_opt.step() value_opt.zero_grad() critic_loss.backward() value_opt.step() This is the full traceback - D:\q_learning\actor_critic.py:90: UserWarning: Creating a tensor from a list of numpy.ndarrays is extremely slow. Please consider converting the list to a single numpy.ndarray with numpy.array() before converting to a tensor. (Triggered internally at C:\cb\pytorch_100000…  ( 44 min )

Currently I am using Davinci Resolve free edition to manually cut / remove no speech parts, or the parts where I take a breath It is extremely time consuming I am pretty sure this can be done via AI For example whisper is able to detect where we use filler words such as umh, um, uh etc That would be awesome to automatically remove these parts from a video Just direct me where to look thank you submitted by /u/CeFurkan [link] [comments]  ( 43 min )

https://www.axios.com/2023/02/01/chatgpt-subscriptions-chatbot-openai Not fully paywalled, but there's a tiering system. submitted by /u/bikeskata [link] [comments]  ( 42 min )

What is the state of research in normalizing flows in 2023? Have they been superseded by diffusion models for sample generation? If so, what are some other applications where normalizing flows are still SOTA (or even useful)? submitted by /u/wellfriedbeans [link] [comments]  ( 42 min )

Hi guys, I have a dataset of 12,000 products, each of which consists of a title, description, and some images. In addition, I also have a pre-defined set of product categories. Curious to learn if anyone has any suggestions on what model to be used to train using this dataset as input to classify each product in the dataset into the related categories within the given set? submitted by /u/dle88 [link] [comments]  ( 42 min )

Stable diffusion seems to be a departure from the trend of building larger and larger models. It has 10x less parameters than other image generation models like DALLE-2. “Incredibly, compared with DALL-E 2 and Imagen, the Stable Diffusion model is a lot smaller. While DALL-E 2 has around 3.5 Billion parameters, and Imagen has 4.6 Billion, the first Stable Diffusion model has just 890 million parameters, which means it uses a lot less VRAM and can actually be run on consumer-grade graphics cards.” What allows stable diffusion to work so well with a lot less parameters? Are there any drawbacks to this, like requiring stable diffusion to be fine tuned more than DALLE-2 for example? submitted by /u/dahdarknite [link] [comments]  ( 43 min )

https://twitter.com/eric_wallace_/status/1620449934863642624?s=46&t=GVukPDI7944N8-waYE5qcw Extracting training data from diffusion models is possible by following, more or less, these steps: Compute CLIP embeddings for the images in a training dataset. Perform an all-pairs comparison and mark the pairs with l2 distance smaller than some threshold as near duplicates Use the prompts for training samples marked as near duplicates to generate N synthetic samples with the trained model Compute the all-pairs l2 distance between the embeddings of generated samples for a given training prompt. Build a graph where the nodes are generated samples and an edge exists if the l2 distance is less than some threshold. If the largest clique in the resulting graph is of size 10, then the training sample is considered to be memorized. Visually inspect the results to determine if the samples considered to be memorized are similar to the training data samples. With this method, the authors were able to find samples from Stable Diffusion and Imagen corresponding to copyrighted training images. submitted by /u/pm_me_your_pay_slips [link] [comments]  ( 45 min )

I am trying to claculate the Jaccard similarity between all instances in my dataframe. I am using the following method to do so, however, this method is painfully slow. My ```data_with_labels``` shape is (221277, 217). # Compute the Jaccard similarity between all instances n_instances = data_with_labels.shape[0] jaccard_similarity_matrix = np.zeros((n_instances, n_instances)) for i in range(n_instances): for j in range(n_instances): jaccard_similarity_matrix[i, j] = jaccard_score(data_with_labels[i, :], data_with_labels[j, :], average='micro') ​ Is there any way to do this process with numpy vectorization? I tried soomething like this but keep getting this error: n_instances = data_with_labels.shape[0] jaccard_similarity_matrix = np.zeros((n_instances, n_instances)) for i in range(n_instances): jaccard_similarity_matrix[i, :] = jaccard_score(data_with_labels[i, :], data_with_labels, average='micro') ValueError: Found input variables with inconsistent numbers of samples: [217, 221277] ​ submitted by /u/hopedallas [link] [comments]  ( 43 min )

Geometric GNNs are an emerging class of GNNs for spatially embedded graphs in scientific and engineering applications, s.a. biomolecular structure, material science, and physical simulations. Notable examples include SchNet, DimeNet, Tensor Field Networks, and E(n) Equivariant GNNs. How powerful are geometric GNNs? How do key design choices influence expressivity and how to build maximally powerful ones? Check out this recent paper for more: 📄 PDF: http://arxiv.org/abs/2301.09308 💻 Code: http://github.com/chaitjo/geometric-gnn-dojo 💡Key findings: https://twitter.com/chaitjo/status/1617812402632019968 P.S. Are you new to Geometric GNNs, GDL, PyTorch Geometric, etc.? Want to understand how theory/equations connect to real code? Try this Geometric GNN 101 notebook before diving in: https://github.com/chaitjo/geometric-gnn-dojo/blob/main/geometric_gnn_101.ipynb submitted by /u/chaitjo [link] [comments]  ( 43 min )

I made a new open source tool called JellyML that lets you go back to any of your checkpoints, and reproduce your code exactly as it was when you trained it. You can find the website here: https://jellyml.com The GitHub repo: https://gitHub.com/mmulet/jellyml You can install it with pip: pip install jellyml submitted by /u/latefordinnerstudios [link] [comments]  ( 42 min )

Every day, there seems to be new evidence of the generalization capabilities of LLMs. What does this mean for the future role of deep learning experts in academia and business? It seems like there's a significant chance that skills such as PyTorch and Jax will be displaced by prompt construction and off-the-shelf model APIs, with only a few large institutions working on the DNN itself. Curious to hear others' thoughts on this. submitted by /u/PassingTumbleweed [link] [comments]  ( 47 min )

Hey everyone, I thought of an idea to create a human like realistic voice assistant for ChatGPT. So I have a question that can we make an API of tortoise TTS trained on a specific voice. I've seen a lot of companies nowadays that provides most realistic text to speech solutions like eleven labs etc. Do they train these voices on tortoise TTS?? If there is another way of creating highly realistic voices and make an API of it, then please tell me how can I do it? And also how can I make this process fast as regular normal TTS? submitted by /u/akshaysri0001 [link] [comments]  ( 43 min )

Problem statement: assume a user come into a system and it typically takes 10 weeks for outcome(yes,no). I want to build a model which predicts the outcome on any particular week say how likely are they gonna succeed on week 1,2,3 etc. Question on model building approach: should I build weekly models and get the prediction ? Or is there a better way to do it. Ideally it would be great have single model that can be used for different weeks. I prefer the latter. Appreciate your ideas submitted by /u/R-PRADY [link] [comments]  ( 42 min )

I’m looking to some aggregation on academic research and news articles to see what insights I get from it. I’m using textrazor to do named entity recognition on the documents, but getting a lot of dirty labels that have slightly different wording. For example, Tesla, Tesla ltd, Tesla Ltd. As a result, my aggregations have a lot of duplicate results. The dataset consists of about 4M labels so the solution has to be efficient to be viable. I was thinking of putting the labels through word2vec and then clustering them based on the word embedding distances? But then the problem arises of how many clusters to use? I’ve also tried simple regex preprocessing to get rid of the company abbreviations but there are other examples that cannot be solved that easily. submitted by /u/hasiemasie [link] [comments]  ( 43 min )

Discussion about a report that compares the practices and attitudes of companies that self-report as ahead of the competition in AI adoption in Europe, compared to companies that identify as behind or at the same stage as their competitors. It contains some interesting findings mixed with some somewhat obvious things. Kinda obvious that leading companies also are further ahead in using MLOps, but I thought it was interesting to see the frequency of fine-tuning and retraining. Not as obvious that most companies report a lack of access to training data, would have thought that is mostly something that smaller companies have issues with. Also not so obvious to me is that companies with a centralized decision-making related to AI seem to dominate among high-performers. Interesting that most companies seem to get some value out of their AI/ML projects, which seems to contradict some of the previous forecasts by the big consultancy companies. Link to the report: https://stagezero.ai/2022-survey-report/ submitted by /u/madnessone1 [link] [comments]  ( 43 min )

I learned a lot at EMNLP in December and captured some of what I learned in this video. Interviews I asked five NLP researchers these questions: 1- What is the most exciting development in NLP in 2022 2- What are you looking forward to in 2023? 3- What is an underrated idea that the field should pay more attention to? Their answers start at 01:22. Workshops I got to spend time at these workshops: Generation, Evaluation & Metrics (GEM) Massively Multilingual NLU Blackbox NLP My main takeaways are at 09:25. Posters If you've been to a conference you'd know there's an overwhelming number of posters. I recorded four of the ones I came across and thought were interesting (covering retrieval-augmented text generation, human evaluation, the BLOOM multimodal dataset, and a multimodal method to name music playlists). Poster presentations start at 14:38 Full video: https://www.youtube.com/watch?v=plCvF_7qrmY ​ What's your answer to these questions? 1- What is the most exciting development in NLP in 2022 2- What are you looking forward to in 2023? 3- What is an underrated idea that the field should pay more attention to? ​ submitted by /u/jayalammar [link] [comments]  ( 43 min )

Hi everyone, I have developed a CLI tool to train a transformer sequence classification model. There are also options for preprocessing data and inference on new data. I was thinking that interesting use cases might be found within economics/finance and biological domains, and would be super interested in feedback on: - if the documentation is intelligible and enables you to use it - to which use cases from your industry/domain could discrete sequence modelling be applied - what additional features you'd need for it to be useful to you Basically, where would the prediction of a class (or the next item) based on discrete events/objects/tokens be useful? The project is called "sequifier" and can be found here: https://github.com/0xideas/sequifier submitted by /u/0xideas [link] [comments]  ( 43 min )

Hi, Text-Generator.io is now self hostable, It's priced at $1000 USD per instance per year to self host. The service runs on a single 24GB VRAM GPU, and runs all services including speech to text, text and code generation for almost all languages and generating embeddings too. The text generator also downloads and analyses any input with links including documents, images, images with text inside and webpages for better understanding and to generate better text. It's a great alternative to OpenAI and has a compatible API making switching easy. You can check out the new pricing here. Let me know what you think and if there's anything i can do to help! All the best. Lee Penkman - Founder Text-Generator.io submitted by /u/leepenkman [link] [comments]  ( 44 min )

GitHub (sadly without weights). https://github.com/PetchMa/ML_GBT_SETI News. https://www-scinexx-de.translate.goog/news/kosmos/seti-findet-acht-potenzielle-alien-signale/?_x_tr_sl=de&_x_tr_tl=en&_x_tr_hl=de&_x_tr_pto=wapp submitted by /u/logTom [link] [comments]  ( 44 min )

Paper : https://arxiv.org/abs/2301.13379 Abstract : While Chain-of-Thought (CoT) prompting boosts Language Models' (LM) performance on a gamut of complex reasoning tasks, the generated reasoning chain does not necessarily reflect how the model arrives at the answer (aka. faithfulness). We propose Faithful CoT, a faithful-by-construction framework that decomposes a reasoning task into two stages: Translation (Natural Language query → symbolic reasoning chain) and Problem Solving (reasoning chain → answer), using an LM and a deterministic solver respectively. We demonstrate the efficacy of our approach on 10 reasoning datasets from 4 diverse domains. It outperforms traditional CoT prompting on 9 out of the 10 datasets, with an average accuracy gain of 4.4 on Math Word Problems, 1.9 on Planning, 4.0 on Multi-hop Question Answering (QA), and 18.1 on Logical Inference, under greedy decoding. Together with self-consistency decoding, we achieve new state-of-the-art few-shot performance on 7 out of the 10 datasets, showing a strong synergy between faithfulness and accuracy. submitted by /u/starstruckmon [link] [comments]  ( 44 min )

Can someone suggest a machine learning model that will segment audio spectrogram to multiple classes. I have labeled data of heart beats. S1, S2, systole and diastole. How to train a segmentation model ? submitted by /u/PlayfulMenu1395 [link] [comments]  ( 42 min )

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Once upon a time, in the Hundred Acre Wood, Winnie the Pooh was feeling down in the dumps. All of his friends were busy with their own activities and he was feeling left out. Pooh decided to take a walk and ended up stumbling upon a mysterious honey pot that had "BB" written on it. Curious, Pooh started to investigate and discovered that the honey pot was actually a cover for a hidden laboratory run by a character similar to Jesse Pinkman from Breaking Bad. The character was cooking up a batch of special honey, which Pooh was immediately drawn to. Despite the character's warnings, Pooh couldn't resist the delicious aroma and sneaked a taste. He was shocked to find that the honey was not only the sweetest he had ever tasted, but it also gave him a burst of energy and focus that he had never experienced before. Intrigued, Pooh started to spend more time with the character, helping him with his honey making and learning about the science behind it. Pooh soon discovered that the character was using the honey to pay for his granddaughter's medical treatment, just like in Breaking Bad. Pooh felt a sense of camaraderie with the character and wanted to help. Together, they came up with a plan to create a legitimate business selling the special honey, but with a focus on using the profits to help others in need. As their business grew, so did their friendship. Pooh was no longer feeling left out, as he was now a part of something important and fulfilling. The two worked together, using their newfound skills and knowledge, to bring joy and happiness to the residents of the Hundred Acre Wood. And so, Winnie the Pooh and his friend from Breaking Bad lived happily ever after, spreading the sweet nectar of kindness and generosity to all. submitted by /u/v1ll3_m [link] [comments]  ( 42 min )

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im a junior in high school and up until now i had no idea what i wanted to study. after this wave of ai stuff happened and i realized how interested i am in it, im wondering if maybe i should study something involving ai. i have no idea where to start though. software engineer? machine learning engineer? i would love if someone could help decide what i actually would want to do for a career and what i should major in to get me there. thank you. submitted by /u/nicdunz [link] [comments]  ( 41 min )

Biden types in, "To what extent should our military be involved in the war in Ukraine?" submitted by /u/yoitscoach [link] [comments]  ( 40 min )

Screenshot of an example Hello, I have a question, now it is much easier to transcribe a video with artificial intelligence and then import to Premiere or Vegas to create subtitles inserted in the video image itself, but can you think of a way to convert that same text to artificial voice and create audio file or track with the same timecode or just sync with the original video? It could be done with any text-to-speech converter, but then you would have to manually cut and wrap each piece of text. Example: 1 00:00:00,000 --> 00:00:02,520 In this space we like to feel a bit of everything, 2 00:00:02,600 --> 00:00:04,600 but the important thing is to make dance. 3 00:00:04,680 --> 00:00:06,680 A task performed by all digiles 4 00:00:06,760 --> 00:00:12,160 and one who has been doing this since the 80s is the maestro Maik 5 00:00:12,240 --> 00:00:14,240 Good evening Maik. ​ submitted by /u/mamomo1 [link] [comments]  ( 41 min )

What makes us think? What is inside the brain that makes us conscious? Can we build a universal AI machine to study and understand the universe? https://www.youtube.com/watch?v=AsXx9gyh39M https://preview.redd.it/endsstfshlfa1.png?width=1920&format=png&auto=webp&s=7677e3d0d463e39de0b423a6881ce3876acbe06b submitted by /u/Ok-District-4701 [link] [comments]  ( 40 min )

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This is laughable.They were sitting on all of the technology.And now they scramble to do something better than 10 links.I for myself will be disappointed with anything less than movie Her. It's a high bar.May be.I would not expect personality.May be some rudementary memory.But the ability to perform almost any digital task must be there.It can be built in a garage using open source projects.COME ON.Some good programmers and hackathon.Yes I am waiting for stability ai model.Or may be gpt 3 API can be used.But submitted by /u/nikitastaf1996 [link] [comments]  ( 41 min )

In 2023, generative AI tools will disrupt how we create and share content. What are your favorite generative AI tools? AI avatar - Synthesia AI-generated automations - Bardeen.ai Copy - copy.ai Personalized videos - Rephrase.ai Video editing - Descript Content creation - Type Studio Voice over - Murf.ai Design - Designs.ai Background music - Soundraw Read the full article https://www.bardeen.ai/posts/generative-ai-tools submitted by /u/Intelligent_Shop_012 [link] [comments]  ( 41 min )

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In this post, we will dive deep into the world of Artificial Intelligence and take a closer look at two of the most advanced AI algorithms… Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 7 min )

In this blog post, we will take a closer look at the implications of ChatGPT’s authorship, the role of AI in scientific literature, and… Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 8 min )

So far this is the 7th blog in the journey of basics to advance SQL. you can refer to previous blogs for learning SQL from scratch, This…  ( 8 min )

Linear & Logistic: The Relationship Between Regression Models Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 11 min )

Hello and welcome to the blog! My name is ChatGPT, and I am a large language model trained by OpenAI.  P.S. This article includes a use…  ( 9 min )

More than $1 million in funding available to selected Solver teams and fellows.  ( 7 min )

Almost 80% of today’s web content is user-generated, creating a deluge of content that organizations struggle to analyze with human-only processes. The availability of consumer information helps them make decisions, from buying a new pair of jeans to securing home loans. In a recent survey, 79% of consumers stated they rely on user videos, comments, […]  ( 10 min )

Recent developments in deep learning have led to increasingly large models such as GPT-3, BLOOM, and OPT, some of which are already in excess of 100 billion parameters. Although larger models tend to be more powerful, training such models requires significant computational resources. Even with the use of advanced distributed training libraries like FSDP and […]  ( 11 min )

Posted by Shayne Longpre, Student Researcher, and Adam Roberts, Senior Staff Software Engineer, Google Research, Brain Team Language models are now capable of performing many new natural language processing (NLP) tasks by reading instructions, often that they hadn’t seen before. The ability to reason on new tasks is mostly credited to training models on a wide variety of unique instructions, known as “instruction tuning”, which was introduced by FLAN and extended in T0, Super-Natural Instructions, MetaICL, and InstructGPT. However, much of the data that drives these advances remain unreleased to the broader research community.  In “The Flan Collection: Designing Data and Methods for Effective Instruction Tuning”, we closely examine and release a newer and more extensive publicly ava…  ( 92 min )

We’re launching a pilot subscription plan for ChatGPT, a conversational AI that can chat with you, answer follow-up questions, and challenge incorrect assumptions. The new subscription plan, ChatGPT Plus, will be available for $20/month, and subscribers will receive a number of benefits: General access to ChatGPT, even  ( 2 min )

submitted by /u/keghn [link] [comments]  ( 40 min )

submitted by /u/keghn [link] [comments]  ( 40 min )

Hi guys, I have made a video on YouTube here where I explain how deltas and delta-deltas features are computed. These are used quite a lot in speech recognition systems. I hope it may be of use to some of you out there. As always, feedback is more than welcomed! :) submitted by /u/Personal-Trainer-541 [link] [comments]  ( 41 min )

Hi right now i have to implement a neural network from rapidminer into a python script to predict a value, but i cant get what is wrong with my program please help. import pandas as pd import math def sig(x): return 1 / (1 + math.exp(-x)) #Funcion de perceptron class Perceptron: #Constructor def __init__(self,weights,bias): self.weights = weights self.bias = bias self.output = 0 def setOutput(self,value): self.output = value def getBias(self): return self.bias def getOutput(self): return self.output def guess(self,input): sum = 0 for i in range(10): sum = sum + (input[i]*self.weights[i]) sum = sum + self.bias self.output = sig(sum) return self.output class Output: def __init__(self,nodes,threshold,name): self.nodes = nodes self.threshold = threshold self.name = name def guess(self,input):…  ( 42 min )

Things are a lot sunnier these days for designers looking to visualize their projects in NVIDIA Omniverse, a platform for creating and operating metaverse applications.  ( 6 min )

Artificial intelligence is the new electricity. The fifth industrial revolution. And companies that go all-in on AI are reaping the rewards. So how do you make that happen? That big question — how? — is explored by Nitin Mittal, principal at Deloitte, one of the world’s largest professional services organizations, and co-author Thomas Davenport in Read article >  ( 4 min )

Less than 24 hours after posting my previous Data Science Central article (here), dozens of illegitimate copies started to pop up on various websites. Below is an example (title + first paragraph): Fake: An experimental guide to the Riemann conjecture — the correct term is heuristic evidence. It is a strong argument based on empirical evidence rather… Read More »Will ChatGPT Make Fraud Easier? The post Will ChatGPT Make Fraud Easier? appeared first on Data Science Central.  ( 22 min )

Federated Learning (FL) is a collaborative learning performed by a moderator that protects data privacy. Existing cross-silo FL solutions seldom address the absence of participating clients during training which can seriously degrade model performances, particularly for unbalanced and non-IID client data. We address this issue by generating secure data digests from the raw data and using them to guide model training at the FL moderator. The proposed FL with data digest (FedDig) framework can tolerate unexpected client absence while preserving data privacy. This is achieved by de-identifying digests by mixing and perturbing the encoded features of the raw data in the feature space. The feature perturbing is performed following the Laplace mechanism of Differential Privacy. We evaluate FedDig on EMNIST, CIFAR-10, and CIFAR-100 datasets. The results consistently outperform three baseline algorithms (FedAvg, FedProx, and FedNova) by large margins in multiple client absence scenarios.  ( 2 min )

Decentralized Actor-Critic (AC) algorithms have been widely utilized for multi-agent reinforcement learning (MARL) and have achieved remarkable success. Apart from its empirical success, the theoretical convergence property of decentralized AC algorithms is largely unexplored. Most of the existing finite-time convergence results are derived based on either double-loop update or two-timescale step sizes rule, and this is the case even for centralized AC algorithm under a single-agent setting. In practice, the \emph{single-timescale} update is widely utilized, where actor and critic are updated in an alternating manner with step sizes being of the same order. In this work, we study a decentralized \emph{single-timescale} AC algorithm.Theoretically, using linear approximation for value and reward estimation, we show that the algorithm has sample complexity of $\tilde{\mathcal{O}}(\varepsilon^{-2})$ under Markovian sampling, which matches the optimal complexity with a double-loop implementation (here, $\tilde{\mathcal{O}}$ hides a logarithmic term). When we reduce to the single-agent setting, our result yields new sample complexity for centralized AC using a single-timescale update scheme. The central to establishing our complexity results is \emph{the hidden smoothness of the optimal critic variable} we revealed. We also provide a local action privacy-preserving version of our algorithm and its analysis. Finally, we conduct experiments to show the superiority of our algorithm over the existing decentralized AC algorithms.  ( 2 min )

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.

The prevalent communication efficient federated learning (FL) frameworks usually take advantages of model gradient compression or model distillation. However, the unbalanced local data distributions (either in quantity or quality) of participating clients, contributing non-equivalently to the global model training, still pose a big challenge to these works. In this paper, we propose FedCliP, a novel communication efficient FL framework that allows faster model training, by adaptively learning which clients should remain active for further model training and pruning those who should be inactive with less potential contributions. We also introduce an alternative optimization method with a newly defined contribution score measure to facilitate active and inactive client determination. We empirically evaluate the communication efficiency of FL frameworks with extensive experiments on three benchmark datasets under both IID and non-IID settings. Numerical results demonstrate the outperformance of the porposed FedCliP framework over state-of-the-art FL frameworks, i.e., FedCliP can save 70% of communication overhead with only 0.2% accuracy loss on MNIST datasets, and save 50% and 15% of communication overheads with less than 1% accuracy loss on FMNIST and CIFAR-10 datasets, respectively.  ( 2 min )

The design choices in the Transformer attention mechanism, including weak inductive bias and quadratic computational complexity, have limited its application for modeling long sequences. In this paper, we introduce Mega, a simple, theoretically grounded, single-head gated attention mechanism equipped with (exponential) moving average to incorporate inductive bias of position-aware local dependencies into the position-agnostic attention mechanism. We further propose a variant of Mega that offers linear time and space complexity yet yields only minimal quality loss, by efficiently splitting the whole sequence into multiple chunks with fixed length. Extensive experiments on a wide range of sequence modeling benchmarks, including the Long Range Arena, neural machine translation, auto-regressive language modeling, and image and speech classification, show that Mega achieves significant improvements over other sequence models, including variants of Transformers and recent state space models.  ( 2 min )

Training large neural networks is known to be time-consuming, with the learning duration taking days or even weeks. To address this problem, large-batch optimization was introduced. This approach demonstrated that scaling mini-batch sizes with appropriate learning rate adjustments can speed up the training process by orders of magnitude. While long training time was not typically a major issue for model-free deep offline RL algorithms, recently introduced Q-ensemble methods achieving state-of-the-art performance made this issue more relevant, notably extending the training duration. In this work, we demonstrate how this class of methods can benefit from large-batch optimization, which is commonly overlooked by the deep offline RL community. We show that scaling the mini-batch size and naively adjusting the learning rate allows for (1) a reduced size of the Q-ensemble, (2) stronger penalization of out-of-distribution actions, and (3) improved convergence time, effectively shortening training duration by 3-4x times on average.  ( 2 min )

We consider the problem of decision-making under uncertainty in an environment with safety constraints. Many business and industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown characteristics, real-time optimization becomes challenging, particularly because of the satisfaction of safety constraints. We propose the ARTEO algorithm, where we cast multi-armed bandits as a mathematical programming problem subject to safety constraints and learn the unknown characteristics through exploration while optimizing the targets. We quantify the uncertainty in unknown characteristics by using Gaussian processes and incorporate it into the cost function as a contribution which drives exploration. We adaptively control the size of this contribution in accordance with the requirements of the environment. We guarantee the safety of our algorithm with a high probability through confidence bounds constructed under the regularity assumptions of Gaussian processes. We demonstrate the safety and efficiency of our approach with two case studies: optimization of electric motor current and real-time bidding problems. We further evaluate the performance of ARTEO compared to a safe variant of upper confidence bound based algorithms. ARTEO achieves less cumulative regret with accurate and safe decisions.  ( 2 min )

In this paper, we study the bias of Stochastic Gradient Descent (SGD) to learn low-rank weight matrices when training deep ReLU neural networks. Our results show that training neural networks with mini-batch SGD and weight decay causes a bias towards rank minimization over the weight matrices. Specifically, we show, both theoretically and empirically, that this bias is more pronounced when using smaller batch sizes, higher learning rates, or increased weight decay. Additionally, we predict and observe empirically that weight decay is necessary to achieve this bias. Finally, we empirically investigate the connection between this bias and generalization, finding that it has a marginal effect on generalization. Our analysis is based on a minimal set of assumptions and applies to neural networks of any width or depth, including those with residual connections and convolutional layers.  ( 2 min )

Transformer models have recently gained popularity in graph representation learning as they have the potential to learn complex relationships beyond the ones captured by regular graph neural networks. The main research question is how to inject the structural bias of graphs into the transformer architecture, and several proposals have been made for undirected molecular graphs and, recently, also for larger network graphs. In this paper, we study transformers over directed acyclic graphs (DAGs) and propose architecture adaptations tailored to DAGs: (1) An attention mechanism that is more efficient than the regular quadratic complexity of transformers and at the same time faithfully captures the DAG structure, and (2) a positional encoding of the DAG's partial order, complementing the former. We rigorously evaluate our framework in ablation studies and show that it is effective in improving different kinds of baseline transformers over various types of data, in experiments ranging from classifying source code graphs to nodes in self-citation networks. In particular, our proposal makes (graph) transformers competitive to or outperform graph neural networks tailored to DAGs.  ( 2 min )

Real-world deployment of machine learning models is challenging when data evolves over time. And data does evolve over time. While no model can work when data evolves in an arbitrary fashion, if there is some pattern to these changes, we might be able to design methods to address it. This paper addresses situations when data evolves gradually. We introduce a novel time-varying importance weight estimator that can detect gradual shifts in the distribution of data. Such an importance weight estimator allows the training method to selectively sample past data -- not just similar data from the past like a standard importance weight estimator would but also data that evolved in a similar fashion in the past. Our time-varying importance weight is quite general. We demonstrate different ways of implementing it that exploit some known structure in the evolution of data. We demonstrate and evaluate this approach on a variety of problems ranging from supervised learning tasks (multiple image classification datasets) where the data undergoes a sequence of gradual shifts of our design to reinforcement learning tasks (robotic manipulation and continuous control) where data undergoes a shift organically as the policy or the task changes.

In this study, we aim to explore efficient tuning methods for speech self-supervised learning. Recent studies show that self-supervised learning (SSL) can learn powerful representations for different speech tasks. However, fine-tuning pre-trained models for each downstream task is parameter-inefficient since SSL models are notoriously large with millions of parameters. Adapters are lightweight modules commonly used in NLP to solve this problem. In downstream tasks, the parameters of SSL models are frozen, and only the adapters are trained. Given the lack of studies generally exploring the effectiveness of adapters for self-supervised speech tasks, we intend to fill this gap by adding various adapter modules in pre-trained speech SSL models. We show that the performance parity can be achieved with over 90% parameter reduction, and discussed the pros and cons of efficient tuning techniques. This is the first comprehensive investigation of various adapter types across speech tasks.

Large pre-trained models decay over long-term deployment as input distributions shift, user requirements change, or crucial knowledge gaps are discovered. Recently, model editors have been proposed to modify a model's behavior by adjusting its weights during deployment. However, when editing the same model multiple times, these approaches quickly decay a model's performance on upstream data and forget how to fix previous errors. We propose and study a novel Lifelong Model Editing setting, where streaming errors are identified for a deployed model and we update the model to correct its predictions without influencing unrelated inputs without access to training edits, exogenous datasets, or any upstream data for the edited model. To approach this problem, we introduce General Retrieval Adaptors for Continual Editing, or GRACE, which learns to cache a chosen layer's activations in an adaptive codebook as edits stream in, leaving original model weights frozen. GRACE can thus edit models thousands of times in a row using only streaming errors, without influencing unrelated inputs. Experimentally, we show that GRACE improves over recent alternatives and generalizes to unseen inputs. Our code is available at https://www.github.com/thartvigsen/grace.

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling, density evaluation, and unbiased ELBO estimation. We then show that MixFlows have MCMC-like convergence guarantees when the flow map is ergodic and measure-preserving, and provide bounds on the accumulation of error for practical implementations where the flow map is approximated. Finally, we develop an implementation of MixFlows based on uncorrected discretized Hamiltonian dynamics combined with deterministic momentum refreshment. Simulated and real data experiments show that MixFlows can provide more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.

Characterizing the implicit structure of the computation within neural networks is a foundational problem in the area of deep learning interpretability. Can the inner decision process of neural networks be captured symbolically in some familiar logic? We show that any fixed-precision transformer neural network can be translated into an equivalent fixed-size $\mathsf{FO}(\mathsf{M})$ formula, i.e., a first-order logic formula that, in addition to standard universal and existential quantifiers, may also contain majority-vote quantifiers. The proof idea is to design highly uniform boolean threshold circuits that can simulate transformers, and then leverage known theoretical connections between circuits and logic. Our results reveal a surprisingly simple formalism for capturing the behavior of transformers, show that simple problems like integer division are "transformer-hard", and provide valuable insights for comparing transformers to other models like RNNs. Our results suggest that first-order logic with majority may be a useful language for expressing programs extracted from transformers.

The thalamus is a subcortical gray matter structure that plays a key role in relaying sensory and motor signals within the brain. Its nuclei can atrophy or otherwise be affected by neurological disease and injuries including mild traumatic brain injury. Segmenting both the thalamus and its nuclei is challenging because of the relatively low contrast within and around the thalamus in conventional magnetic resonance (MR) images. This paper explores imaging features to determine key tissue signatures that naturally cluster, from which we can parcellate thalamic nuclei. Tissue contrasts include T1-weighted and T2-weighted images, MR diffusion measurements including FA, mean diffusivity, Knutsson coefficients that represent fiber orientation, and synthetic multi-TI images derived from FGATIR and T1-weighted images. After registration of these contrasts and isolation of the thalamus, we use the uniform manifold approximation and projection (UMAP) method for dimensionality reduction to produce a low-dimensional representation of the data within the thalamus. Manual labeling of the thalamus provides labels for our UMAP embedding from which k nearest neighbors can be used to label new unseen voxels in that same UMAP embedding. N -fold cross-validation of the method reveals comparable performance to state-of-the-art methods for thalamic parcellation.

A practical issue of edge AI systems is that data distributions of trained dataset and deployed environment may differ due to noise and environmental changes over time. Such a phenomenon is known as a concept drift, and this gap degrades the performance of edge AI systems and may introduce system failures. To address this gap, retraining of neural network models triggered by concept drift detection is a practical approach. However, since available compute resources are strictly limited in edge devices, in this paper we propose a fully sequential concept drift detection method in cooperation with an on-device sequential learning technique of neural networks. In this case, both the neural network retraining and the proposed concept drift detection are done only by sequential computation to reduce computation cost and memory utilization. Evaluation results of the proposed approach shows that while the accuracy is decreased by 3.8%-4.3% compared to existing batch-based detection methods, it decreases the memory size by 88.9%-96.4% and the execution time by 1.3%-83.8%. As a result, the combination of the neural network retraining and the proposed concept drift detection method is demonstrated on Raspberry Pi Pico that has 264kB memory.

Many phenomena from physics and engineering require highly flexible models, and have ample data with which to fit. However, this data is often irregularly sampled, and cannot be processed as it is by standard deep learning architecture. We propose a transformer-based model for forecasting physical processes at arbitrary spatial points given information on a related process at possibly different points. This architecture is particularly well-suited for high-altitude wind forecasting, as it can effectively leverage large volumes of data recorded along plane trajectories, which are sparse in space. We test at different scales for two different dynamical systems previously studied in the literature: the Poisson equation and Darcy Flow equation. In both cases, our transformer-based model outperforms alternative methods. We hypothesize that this superior performance is due to a more flexible latent representation. To support this hypothesis, we design a simple synthetic experiment to show that the latent representation of the other models suffers from excessive bottlenecking that is, in some cases, preventing the efficient use of the information and slowing training.

We present a fast, differentially private algorithm for high-dimensional covariance-aware mean estimation with nearly optimal sample complexity. Only exponential-time estimators were previously known to achieve this guarantee. Given $n$ samples from a (sub-)Gaussian distribution with unknown mean $\mu$ and covariance $\Sigma$, our $(\varepsilon,\delta)$-differentially private estimator produces $\tilde{\mu}$ such that $\|\mu - \tilde{\mu}\|_{\Sigma} \leq \alpha$ as long as $n \gtrsim \tfrac d {\alpha^2} + \tfrac{d \sqrt{\log 1/\delta}}{\alpha \varepsilon}+\frac{d\log 1/\delta}{\varepsilon}$. The Mahalanobis error metric $\|\mu - \hat{\mu}\|_{\Sigma}$ measures the distance between $\hat \mu$ and $\mu$ relative to $\Sigma$; it characterizes the error of the sample mean. Our algorithm runs in time $\tilde{O}(nd^{\omega - 1} + nd/\varepsilon)$, where $\omega < 2.38$ is the matrix multiplication exponent. We adapt an exponential-time approach of Brown, Gaboardi, Smith, Ullman, and Zakynthinou (2021), giving efficient variants of stable mean and covariance estimation subroutines that also improve the sample complexity to the nearly optimal bound above. Our stable covariance estimator can be turned to private covariance estimation for unrestricted subgaussian distributions. With $n\gtrsim d^{3/2}$ samples, our estimate is accurate in spectral norm. This is the first such algorithm using $n= o(d^2)$ samples, answering an open question posed by Alabi et al. (2022). With $n\gtrsim d^2$ samples, our estimate is accurate in Frobenius norm. This leads to a fast, nearly optimal algorithm for private learning of unrestricted Gaussian distributions in TV distance. Duchi, Haque, and Kuditipudi (2023) obtained similar results independently and concurrently.  ( 2 min )

We study high-probability regret bounds for adversarial $K$-armed bandits with time-varying feedback graphs over $T$ rounds. For general strongly observable graphs, we develop an algorithm that achieves the optimal regret $\widetilde{\mathcal{O}}((\sum_{t=1}^T\alpha_t)^{1/2}+\max_{t\in[T]}\alpha_t)$ with high probability, where $\alpha_t$ is the independence number of the feedback graph at round $t$. Compared to the best existing result [Neu, 2015] which only considers graphs with self-loops for all nodes, our result not only holds more generally, but importantly also removes any $\text{poly}(K)$ dependence that can be prohibitively large for applications such as contextual bandits. Furthermore, we also develop the first algorithm that achieves the optimal high-probability regret bound for weakly observable graphs, which even improves the best expected regret bound of [Alon et al., 2015] by removing the $\mathcal{O}(\sqrt{KT})$ term with a refined analysis. Our algorithms are based on the online mirror descent framework, but importantly with an innovative combination of several techniques. Notably, while earlier works use optimistic biased loss estimators for achieving high-probability bounds, we find it important to use a pessimistic one for nodes without self-loop in a strongly observable graph.

As humanity has begun to explore space, the significance of space weather has become apparent. It has been established that coronal holes, a type of space weather phenomenon, can impact the operation of aircraft and satellites. The coronal hole is an area on the sun characterized by open magnetic field lines and relatively low temperatures, which result in the emission of the solar wind at higher than average rates. In this study, To prepare for the impact of coronal holes on the Earth, we use computer vision to detect the coronal hole region and calculate its size based on images from the Solar Dynamics Observatory (SDO). We then implement deep learning techniques, specifically the Long Short-Term Memory (LSTM) method, to analyze trends in the coronal hole area data and predict its size for different sun regions over 7 days. By analyzing time series data on the coronal hole area, this study aims to identify patterns and trends in coronal hole behavior and understand how they may impact space weather events. This research represents an important step towards improving our ability to predict and prepare for space weather events that can affect Earth and technological systems.

With increasingly more computation being shifted to the edge of the network, monitoring of critical infrastructures, such as intermediate processing nodes in autonomous driving, is further complicated due to the typically resource-constrained environments. In order to reduce the resource overhead on the network link imposed by monitoring, various methods have been discussed that either follow a filtering approach for data-emitting devices or conduct dynamic sampling based on employed prediction models. Still, existing methods are mainly requiring adaptive monitoring on edge devices, which demands device reconfigurations, utilizes additional resources, and limits the sophistication of employed models. In this paper, we propose a sampling-based and cloud-located approach that internally utilizes probabilistic forecasts and hence provides means of quantifying model uncertainties, which can be used for contextualized adaptations of sampling frequencies and consequently relieves constrained network resources. We evaluate our prototype implementation for the monitoring pipeline on a publicly available streaming dataset and demonstrate its positive impact on resource efficiency in a method comparison.  ( 2 min )

High dimensional data for classification does create many difficulties for machine learning algorithms. The generalization can be done using ensemble learning methods such as bagging based supervised non-parametric random forest algorithm. In this paper we solve the problem of binary classification for high dimensional data using random forest for polycystic ovary syndrome dataset. We have performed the implementation and provided a detailed visualization of the data for general inference. The training accuracy that we have achieved is 95.6% and validation accuracy over 91.74% respectively.

Deep Ensembles, as a type of Bayesian Neural Networks, can be used to estimate uncertainty on the prediction of multiple neural networks by collecting votes from each network and computing the difference in those predictions. In this paper, we introduce a method for uncertainty estimation that considers a set of independent categorical distributions for each layer of the network, giving many more possible samples with overlapped layers than in the regular Deep Ensembles. We further introduce an optimized inference procedure that reuses common layer outputs, achieving up to 19x speed up and reducing memory usage quadratically. We also show that the method can be further improved by ranking samples, resulting in models that require less memory and time to run while achieving higher uncertainty quality than Deep Ensembles.

The potential market for modern self-driving cars is enormous, as they are developing remarkably rapidly. At the same time, however, cases of pedestrian fatalities caused by autonomous driving have been recorded in the case of crossing the road. In this paper, we propose level-$k$ thinking into MAML to create a Level-$k$ Meta Reinforcement Learning (LK-MRL) as a self-driving vehicle model to prepare for heterogeneous pedestrians and improve intersection safety based on the combination of meta reinforcement learning and human cognitive hierarchy framework. In our evaluation, we assign this model to two different cognitive confrontation hierarchy scenarios in an urban traffic simulator to show not only its demonstrate its advantage in road safety but also the producing ability of higher-level thinking strategies.

It is a growing direction to utilize unintended memorization in ML models to benefit real-world applications, with recent efforts like user auditing, dataset ownership inference and forgotten data measurement. Standing on the point of ML model development, we introduce a process named data origin inference, to assist ML developers in locating missed or faulty data origin in training set without maintaining strenuous metadata. We formally define the data origin and the data origin inference task in the development of the ML model (mainly neural networks). Then we propose a novel inference strategy combining embedded-space multiple instance classification and shadow training. Diverse use cases cover language, visual and structured data, with various kinds of data origin (e.g. business, county, movie, mobile user, text author). A comprehensive performance analysis of our proposed strategy contains referenced target model layers, available testing data for each origin, and in shadow training, the implementations of feature extraction as well as shadow models. Our best inference accuracy achieves 98.96% in the language use case when the target model is a transformer-based deep neural network. Furthermore, we give a statistical analysis of different kinds of data origin to investigate what kind of origin is probably to be inferred correctly.

State-of-the-art performance in electroencephalography (EEG) decoding tasks is currently often achieved with either Deep-Learning or Riemannian-Geometry-based decoders. Recently, there is growing interest in Deep Riemannian Networks (DRNs) possibly combining the advantages of both previous classes of methods. However, there are still a range of topics where additional insight is needed to pave the way for a more widespread application of DRNs in EEG. These include architecture design questions such as network size and end-to-end ability as well as model training questions. How these factors affect model performance has not been explored. Additionally, it is not clear how the data within these networks is transformed, and whether this would correlate with traditional EEG decoding. Our study aims to lay the groundwork in the area of these topics through the analysis of DRNs for EEG with a wide range of hyperparameters. Networks were tested on two public EEG datasets and compared with state-of-the-art ConvNets. Here we propose end-to-end EEG SPDNet (EE(G)-SPDNet), and we show that this wide, end-to-end DRN can outperform the ConvNets, and in doing so use physiologically plausible frequency regions. We also show that the end-to-end approach learns more complex filters than traditional band-pass filters targeting the classical alpha, beta, and gamma frequency bands of the EEG, and that performance can benefit from channel specific filtering approaches. Additionally, architectural analysis revealed areas for further improvement due to the possible loss of Riemannian specific information throughout the network. Our study thus shows how to design and train DRNs to infer task-related information from the raw EEG without the need of handcrafted filterbanks and highlights the potential of end-to-end DRNs such as EE(G)-SPDNet for high-performance EEG decoding.

Models that can predict the occurrence of events ahead of time with low false-alarm rates are critical to the acceptance of decision support systems in the medical community. This challenging task is typically treated as a simple binary classification, ignoring temporal dependencies between samples, whereas we propose to exploit this structure. We first introduce a common theoretical framework unifying dynamic survival analysis and early event prediction. Following an analysis of objectives from both fields, we propose Temporal Label Smoothing (TLS), a simpler, yet best-performing method that preserves prediction monotonicity over time. By focusing the objective on areas with a stronger predictive signal, TLS improves performance over all baselines on two large-scale benchmark tasks. Gains are particularly notable along clinically relevant measures, such as event recall at low false-alarm rates. TLS reduces the number of missed events by up to a factor of two over previously used approaches in early event prediction.  ( 2 min )

A key problem in network theory is how to reconfigure a graph in order to optimize a quantifiable objective. Given the ubiquity of networked systems, such work has broad practical applications in a variety of situations, ranging from drug and material design to telecommunications. The large decision space of possible reconfigurations, however, makes this problem computationally intensive. In this paper, we cast the problem of network rewiring for optimizing a specified structural property as a Markov Decision Process (MDP), in which a decision-maker is given a budget of modifications that are performed sequentially. We then propose a general approach based on the Deep Q-Network (DQN) algorithm and graph neural networks (GNNs) that can efficiently learn strategies for rewiring networks. We then discuss a cybersecurity case study, i.e., an application to the computer network reconfiguration problem for intrusion protection. In a typical scenario, an attacker might have a (partial) map of the system they plan to penetrate; if the network is effectively "scrambled", they would not be able to navigate it since their prior knowledge would become obsolete. This can be viewed as an entropy maximization problem, in which the goal is to increase the surprise of the network. Indeed, entropy acts as a proxy measurement of the difficulty of navigating the network topology. We demonstrate the general ability of the proposed method to obtain better entropy gains than random rewiring on synthetic and real-world graphs while being computationally inexpensive, as well as being able to generalize to larger graphs than those seen during training. Simulations of attack scenarios confirm the effectiveness of the learned rewiring strategies.  ( 3 min )

Agent-Based Models are very useful for simulation of physical or social processes, such as the spreading of a pandemic in a city. Such models proceed by specifying the behavior of individuals (agents) and their interactions, and parameterizing the process of infection based on such interactions based on the geography and demography of the city. However, such models are computationally very expensive, and the complexity is often linear in the total number of agents. This seriously limits the usage of such models for simulations, which often have to be run hundreds of times for policy planning and even model parameter estimation. An alternative is to develop an emulator, a surrogate model that can predict the Agent-Based Simulator's output based on its initial conditions and parameters. In this paper, we discuss a Deep Learning model based on Dilated Convolutional Neural Network that can emulate such an agent based model with high accuracy. We show that use of this model instead of the original Agent-Based Model provides us major gains in the speed of simulations, allowing much quicker calibration to observations, and more extensive scenario analysis. The models we consider are spatially explicit, as the locations of the infected individuals are simulated instead of the gross counts. Another aspect of our emulation framework is its divide-and-conquer approach that divides the city into several small overlapping blocks and carries out the emulation in them parallelly, after which these results are merged together. This ensures that the same emulator can work for a city of any size, and also provides significant improvement of time complexity of the emulator, compared to the original simulator.  ( 2 min )

Bilevel optimization recently has attracted increased interest in machine learning due to its many applications such as hyper-parameter optimization and meta learning. Although many bilevel optimization methods recently have been proposed, these methods do not consider using adaptive learning rates. It is well known that adaptive learning rates can accelerate many optimization algorithms including (stochastic) gradient-based algorithms. To fill this gap, in the paper, we propose a novel fast adaptive bilevel framework to solve stochastic bilevel optimization problems that the outer problem is possibly nonconvex and the inner problem is strongly convex. Our framework uses unified adaptive matrices including many types of adaptive learning rates, and can flexibly use the momentum and variance reduced techniques. In particular, we provide a useful convergence analysis framework for the bilevel optimization. Specifically, we propose a fast single-loop adaptive bilevel optimization (BiAdam) algorithm based on the basic momentum technique, which achieves a sample complexity of $\tilde{O}(\epsilon^{-4})$ for finding an $\epsilon$-stationary solution (i.e., $\mathbb{E}\|\nabla F(x)\| \leq \epsilon$ or its equivalent variants). Meanwhile, we propose an accelerated version of BiAdam algorithm (VR-BiAdam) by using variance reduced technique, which reaches the best known sample complexity of $\tilde{O}(\epsilon^{-3})$ without relying on large batch-size. To the best of our knowledge, we first study the adaptive bilevel optimization methods with adaptive learning rates. Some experimental results on data hyper-cleaning and hyper-representation learning tasks demonstrate the efficiency of our algorithms.  ( 2 min )

Inferencing unlabeled data from labeled data is an error-prone process. Conventional neural network training is highly sensitive to supervision errors. These two realities make semi-supervised learning (SSL) troublesome. In practice, SSL approaches often fail to outperform their fully supervised baseline. Proposed is a novel framework for deep SSL via transductive pseudo-label refinement called Contrastive Credibility Propagation (CCP). Through an iterative process of refining soft pseudo-labels, CCP unifies a novel contrastive approach for generating pseudo-labels and a powerful technique to overcome instance-dependent label noise. The result is an SSL classification framework explicitly designed to overcome inevitable pseudo-label errors. Using standard text and image benchmark classification datasets, we show CCP reliably boosts or matches performance over a supervised baseline in four common real-world SSL scenarios: few-label, open-set, noisy-label, and class distribution misalignment.  ( 2 min )

The last decade of machine learning has seen drastic increases in scale and capabilities. Deep neural networks (DNNs) are increasingly being deployed in the real world. However, they are difficult to analyze, raising concerns about using them without a rigorous understanding of how they function. Effective tools for interpreting them will be important for building more trustworthy AI by helping to identify problems, fix bugs, and improve basic understanding. In particular, "inner" interpretability techniques, which focus on explaining the internal components of DNNs, are well-suited for developing a mechanistic understanding, guiding manual modifications, and reverse engineering solutions. Much recent work has focused on DNN interpretability, and rapid progress has thus far made a thorough systematization of methods difficult. In this survey, we review over 300 works with a focus on inner interpretability tools. We introduce a taxonomy that classifies methods by what part of the network they help to explain (weights, neurons, subnetworks, or latent representations) and whether they are implemented during (intrinsic) or after (post hoc) training. To our knowledge, we are also the first to survey a number of connections between interpretability research and work in adversarial robustness, continual learning, modularity, network compression, and studying the human visual system. We discuss key challenges and argue that the status quo in interpretability research is largely unproductive. Finally, we highlight the importance of future work that emphasizes diagnostics, debugging, adversaries, and benchmarking in order to make interpretability tools more useful to engineers in practical applications.  ( 3 min )

Large Language Models (LLMs) have been reported to have strong performance on natural language processing tasks. However, performance metrics such as accuracy do not measure the quality of the model in terms of its ability to robustly represent complex linguistic structure. In this work, we propose a framework and measure of robustness to assess the consistency of linguistic representations against syntax-preserving perturbations. We leverage recent advances in extracting linguistic constructs from LLMs to test the robustness of such structures. Empirically, we study the performance of four LLMs across six different corpora on the proposed robustness measures. We provide evidence that context-free representation (e.g., GloVe) are in some cases competitive with context-dependent representations from modern LLMs (e.g., BERT), yet equally brittle to syntax-preserving manipulations. Emergent syntactic representations in neural networks are brittle, thus our work poses the attention on the risk of comparing such structures to those that are object of a long lasting debate in linguistics.

We developed an inherently interpretable multilevel Bayesian framework for representing variation in regression coefficients that mimics the piecewise linearity of ReLU-activated deep neural networks. We used the framework to formulate a survival model for using medical claims to predict hospital readmission and death that focuses on discharge placement, adjusting for confounding in estimating causal local average treatment effects. We trained the model on a 5% sample of Medicare beneficiaries from 2008 and 2011, based on their 2009--2011 inpatient episodes, and then tested the model on 2012 episodes. The model scored an AUROC of approximately 0.76 on predicting all-cause readmissions -- defined using official Centers for Medicare and Medicaid Services (CMS) methodology -- or death within 30-days of discharge, being competitive against XGBoost and a Bayesian deep neural network, demonstrating that one need-not sacrifice interpretability for accuracy. Crucially, as a regression model, we provide what blackboxes cannot -- the exact gold-standard global interpretation of the model, identifying relative risk factors and quantifying the effect of discharge placement. We also show that the posthoc explainer SHAP fails to provide accurate explanations.  ( 2 min )

Cell-free massive MIMO is emerging as a promising technology for future wireless communication systems, which is expected to offer uniform coverage and high spectral efficiency compared to classical cellular systems. We study in this paper how cell-free massive MIMO can support federated edge learning. Taking advantage of the additive nature of the wireless multiple access channel, over-the-air computation is exploited, where the clients send their local updates simultaneously over the same communication resource. This approach, known as over-the-air federated learning (OTA-FL), is proven to alleviate the communication overhead of federated learning over wireless networks. Considering channel correlation and only imperfect channel state information available at the central server, we propose a practical implementation of OTA-FL over cell-free massive MIMO. The convergence of the proposed implementation is studied analytically and experimentally, confirming the benefits of cell-free massive MIMO for OTA-FL.

Predicting discrete events in time and space has many scientific applications, such as predicting hazardous earthquakes and outbreaks of infectious diseases. History-dependent spatio-temporal Hawkes processes are often used to mathematically model these point events. However, previous approaches have faced numerous challenges, particularly when attempting to forecast one or multiple future events. In this work, we propose a new neural architecture for simultaneous multi-event forecasting of spatio-temporal point processes, utilizing transformers, augmented with normalizing flows and probabilistic layers. Our network makes batched predictions of complex history-dependent spatio-temporal distributions of future discrete events, achieving state-of-the-art performance on a variety of benchmark datasets including the South California Earthquakes, Citibike, Covid-19, and Hawkes synthetic pinwheel datasets. More generally, we illustrate how our network can be applied to any dataset of discrete events with associated markers, even when no underlying physics is known.

Typical representations for arbitrary-oriented object detection tasks include oriented bounding box (OBB), quadrilateral bounding box (QBB), and point set (PointSet). Each representation encounters problems that correspond to its characteristics, such as the boundary discontinuity, square-like problem, representation ambiguity, and isolated points, which lead to inaccurate detection. Although many effective strategies have been proposed for various representations, there is still no unified solution. Current detection methods based on Gaussian modeling have demonstrated the possibility of breaking this dilemma; however, they remain limited to OBB. To go further, in this paper, we propose a unified Gaussian representation called G-Rep to construct Gaussian distributions for OBB, QBB, and PointSet, which achieves a unified solution to various representations and problems. Specifically, PointSet or QBB-based object representations are converted into Gaussian distributions, and their parameters are optimized using the maximum likelihood estimation algorithm. Then, three optional Gaussian metrics are explored to optimize the regression loss of the detector because of their excellent parameter optimization mechanisms. Furthermore, we also use Gaussian metrics for sampling to align label assignment and regression loss. Experimental results on several public available datasets, such as DOTA, HRSC2016, UCAS-AOD, and ICDAR2015, show the excellent performance of the proposed method for arbitrary-oriented object detection.

Graph Neural Networks (GNNs) have shown expressive performance on graph representation learning by aggregating information from neighbors. Recently, some studies have discussed the importance of modeling neighborhood distribution on the graph. However, most existing GNNs aggregate neighbors' features through single statistic (e.g., mean, max, sum), which loses the information related to neighbor's feature distribution and therefore degrades the model performance. In this paper, inspired by the method of moment in statistical theory, we propose to model neighbor's feature distribution with multi-order moments. We design a novel GNN model, namely Mix-Moment Graph Neural Network (MM-GNN), which includes a Multi-order Moment Embedding (MME) module and an Element-wise Attention-based Moment Adaptor module. MM-GNN first calculates the multi-order moments of the neighbors for each node as signatures, and then use an Element-wise Attention-based Moment Adaptor to assign larger weights to important moments for each node and update node representations. We conduct extensive experiments on 15 real-world graphs (including social networks, citation networks and web-page networks etc.) to evaluate our model, and the results demonstrate the superiority of MM-GNN over existing state-of-the-art models.

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy.  ( 2 min )

Transformers have achieved great success in several domains, including Natural Language Processing and Computer Vision. However, its application to real-world graphs is less explored, mainly due to its high computation cost and its poor generalizability caused by the lack of enough training data in the graph domain. To fill in this gap, we propose a scalable Transformer-like dynamic graph learning method named Dynamic Graph Transformer (DyFormer) with spatial-temporal encoding to effectively learn graph topology and capture implicit links. To achieve efficient and scalable training, we propose temporal-union graph structure and its associated subgraph-based node sampling strategy. To improve the generalization ability, we introduce two complementary self-supervised pre-training tasks and show that jointly optimizing the two pre-training tasks results in a smaller Bayesian error rate via an information-theoretic analysis. Extensive experiments on the real-world datasets illustrate that DyFormer achieves a consistent 1%-3% AUC gain (averaged over all time steps) compared with baselines on all benchmarks.  ( 2 min )

Causal discovery, the inference of causal relations from data, is a core task of fundamental importance in all scientific domains, and several new machine learning methods for addressing the causal discovery problem have been proposed recently. However, existing machine learning methods for causal discovery typically require that the data used for inference is pooled and available in a centralized location. In many domains of high practical importance, such as in healthcare, data is only available at local data-generating entities (e.g. hospitals in the healthcare context), and cannot be shared across entities due to, among others, privacy and regulatory reasons. In this work, we address the problem of inferring causal structure - in the form of a directed acyclic graph (DAG) - from a distributed data set that contains both observational and interventional data in a privacy-preserving manner by exchanging updates instead of samples. To this end, we introduce a new federated framework, FED-CD, that enables the discovery of global causal structures both when the set of intervened covariates is the same across decentralized entities, and when the set of intervened covariates are potentially disjoint. We perform a comprehensive experimental evaluation on synthetic data that demonstrates that FED-CD enables effective aggregation of decentralized data for causal discovery without direct sample sharing, even when the contributing distributed data sets cover disjoint sets of interventions. Effective methods for causal discovery in distributed data sets could significantly advance scientific discovery and knowledge sharing in important settings, for instance, healthcare, in which sharing of data across local sites is difficult or prohibited.  ( 2 min )

To address the bias exhibited by machine learning models, fairness criteria impose statistical constraints for ensuring equal treatment to all demographic groups, but typically at a cost to model performance. Understanding this tradeoff, therefore, underlies the design of fair and effective algorithms. This paper completes the characterization of the inherent tradeoff of demographic parity on classification problems in the most general multigroup, multiclass, and noisy setting. Specifically, we show that the minimum error rate is given by the optimal value of a Wasserstein-barycenter problem. More practically, this reformulation leads to a simple procedure for post-processing any pre-trained predictors to satisfy demographic parity in the general setting, which, in particular, yields the optimal fair classifier when applied to the Bayes predictor. We provide suboptimality and finite sample analyses for our procedure, and demonstrate precise control of the tradeoff of error rate for fairness on real-world datasets provided sufficient data.  ( 2 min )

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature, while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.

Contrastive deep graph clustering, which aims to divide nodes into disjoint groups via contrastive mechanisms, is a challenging research spot. Among the recent works, hard sample mining-based algorithms have achieved great attention for their promising performance. However, we find that the existing hard sample mining methods have two problems as follows. 1) In the hardness measurement, the important structural information is overlooked for similarity calculation, degrading the representativeness of the selected hard negative samples. 2) Previous works merely focus on the hard negative sample pairs while neglecting the hard positive sample pairs. Nevertheless, samples within the same cluster but with low similarity should also be carefully learned. To solve the problems, we propose a novel contrastive deep graph clustering method dubbed Hard Sample Aware Network (HSAN) by introducing a comprehensive similarity measure criterion and a general dynamic sample weighing strategy. Concretely, in our algorithm, the similarities between samples are calculated by considering both the attribute embeddings and the structure embeddings, better revealing sample relationships and assisting hardness measurement. Moreover, under the guidance of the carefully collected high-confidence clustering information, our proposed weight modulating function will first recognize the positive and negative samples and then dynamically up-weight the hard sample pairs while down-weighting the easy ones. In this way, our method can mine not only the hard negative samples but also the hard positive sample, thus improving the discriminative capability of the samples further. Extensive experiments and analyses demonstrate the superiority and effectiveness of our proposed method.

The accelerated use of digital cameras prompts an increasing concern about privacy and security, particularly in applications such as action recognition. In this paper, we propose an optimizing framework to provide robust visual privacy protection along the human action recognition pipeline. Our framework parameterizes the camera lens to successfully degrade the quality of the videos to inhibit privacy attributes and protect against adversarial attacks while maintaining relevant features for activity recognition. We validate our approach with extensive simulations and hardware experiments.

Over past few years afterward the birth of ResNet, skip connection has become the defacto standard for the design of modern architectures due to its widespread adoption, easy optimization and proven performance. Prior work has explained the effectiveness of the skip connection mechanism from different perspectives. In this work, we deep dive into the model's behaviors with skip connections which can be formulated as a learnable Markov chain. An efficient Markov chain is preferred as it always maps the input data to the target domain in a better way. However, while a model is explained as a Markov chain, it is not guaranteed to be optimized following an efficient Markov chain by existing SGD-based optimizers which are prone to get trapped in local optimal points. In order to towards a more efficient Markov chain, we propose a simple routine of penal connection to make any residual-like model become a learnable Markov chain. Aside from that, the penal connection can also be viewed as a particular model regularization and can be easily implemented with one line of code in the most popular deep learning frameworks~\footnote{Source code: \url{https://github.com/densechen/penal-connection}}. The encouraging experimental results in multi-modal translation and image recognition empirically confirm our conjecture of the learnable Markov chain view and demonstrate the superiority of the proposed penal connection.

A growing body of literature in fairness-aware ML (fairML) aspires to mitigate machine learning (ML)-related unfairness in automated decision making (ADM) by defining metrics that measure fairness of an ML model and by proposing methods that ensure that trained ML models achieve low values in those measures. However, the underlying concept of fairness, i.e., the question of what fairness is, is rarely discussed, leaving a considerable gap between centuries of philosophical discussion and recent adoption of the concept in the ML community. In this work, we try to bridge this gap by formalizing a consistent concept of fairness and by translating the philosophical considerations into a formal framework for the training and evaluation of ML models in ADM systems. We derive that fairness problems can already arise without the presence of protected attributes, pointing out that fairness and predictive performance are not irreconcilable counterparts, but rather that the latter is necessary to achieve the former. Moreover, we argue why and how causal considerations are necessary when assessing fairness in the presence of protected attributes. We achieve greater linguistic clarity for the discussion of fairML and propose general algorithms for practical applications.

Equilibrium Propagation (EP) is a powerful and more bio-plausible alternative to conventional learning frameworks such as backpropagation. The effectiveness of EP stems from the fact that it relies only on local computations and requires solely one kind of computational unit during both of its training phases, thereby enabling greater applicability in domains such as bio-inspired neuromorphic computing. The dynamics of the model in EP is governed by an energy function and the internal states of the model consequently converge to a steady state following the state transition rules defined by the same. However, by definition, EP requires the input to the model (a convergent RNN) to be static in both the phases of training. Thus it is not possible to design a model for sequence classification using EP with an LSTM or GRU like architecture. In this paper, we leverage recent developments in modern hopfield networks to further understand energy based models and develop solutions for complex sequence classification tasks using EP while satisfying its convergence criteria and maintaining its theoretical similarities with recurrent backpropagation. We explore the possibility of integrating modern hopfield networks as an attention mechanism with convergent RNN models used in EP, thereby extending its applicability for the first time on two different sequence classification tasks in natural language processing viz. sentiment analysis (IMDB dataset) and natural language inference (SNLI dataset).

Personalization of machine learning (ML) predictions for individual users/domains/enterprises is critical for practical recommendation style systems. Standard personalization approaches involve learning a user/domain specific embedding that is fed into a fixed global model which can be limiting. On the other hand, personalizing/fine-tuning model itself for each user/domain -- a.k.a meta-learning -- has high storage/infrastructure cost. We propose a novel meta-learning style approach that models network weights as a sum of low-rank and sparse matrices. This captures common information from multiple individuals/users together in the low-rank part while sparse part captures user-specific idiosyncrasies. Furthermore, the framework is up to two orders of magnitude more scalable (in terms of storage/infrastructure cost) than user-specific finetuning of model. We then study the framework in the linear setting, where the problem reduces to that of estimating the sum of a rank-$r$ and a $k$-column sparse matrix using a small number of linear measurements. We propose an alternating minimization method with iterative hard thresholding -- AMHT-LRS -- to learn the low-rank and sparse part. For the realizable, Gaussian data setting, we show that AMHT-LRS solves the problem efficiently with nearly optimal samples. A significant challenge in personalization is ensuring privacy of each user's sensitive data. We alleviate this problem by proposing a differentially private variant of our method that also is equipped with strong generalization guarantees. Finally, on multiple standard recommendation datasets, we demonstrate that our approach allows personalized models to obtain superior performance in sparse data regime.

Nonconvex optimization is central in solving many machine learning problems, in which block-wise structure is commonly encountered. In this work, we propose cyclic block coordinate methods for nonconvex optimization problems with non-asymptotic gradient norm guarantees. Our convergence analysis is based on a gradient Lipschitz condition with respect to a Mahalanobis norm, inspired by a recent progress on cyclic block coordinate methods. In deterministic settings, our convergence guarantee matches the guarantee of (full-gradient) gradient descent, but with the gradient Lipschitz constant being defined w.r.t.~a Mahalanobis norm. In stochastic settings, we use recursive variance reduction to decrease the per-iteration cost and match the arithmetic operation complexity of current optimal stochastic full-gradient methods, with a unified analysis for both finite-sum and infinite-sum cases. We prove a faster linear convergence result when a Polyak-{\L}ojasiewicz (P{\L}) condition holds. To our knowledge, this work is the first to provide non-asymptotic convergence guarantees -- variance-reduced or not -- for a cyclic block coordinate method in general composite (smooth + nonsmooth) nonconvex settings. Our experimental results demonstrate the efficacy of the proposed cyclic scheme in training deep neural nets.

Support vector machines (SVM) and other kernel techniques represent a family of powerful statistical classification methods with high accuracy and broad applicability. Because they use all or a significant portion of the training data, however, they can be slow, especially for large problems. Piecewise linear classifiers are similarly versatile, yet have the additional advantages of simplicity, ease of interpretation and, if the number of component linear classifiers is not too large, speed. Here we show how a simple, piecewise linear classifier can be trained from a kernel-based classifier in order to improve the classification speed. The method works by finding the root of the difference in conditional probabilities between pairs of opposite classes to build up a representation of the decision boundary. When tested on 17 different datasets, it succeeded in improving the classification speed of a SVM for 12 of them by up to two orders-of-magnitude. Of these, two were less accurate than a simple, linear classifier. The method is best suited to problems with continuum features data and smooth probability functions. Because the component linear classifiers are built up individually from an existing classifier, rather than through a simultaneous optimization procedure, the classifier is also fast to train.

This paper describes a deep reinforcement learning (DRL) approach that won Phase 1 of the Real Robot Challenge (RRC) 2021, and then extends this method to a more difficult manipulation task. The RRC consisted of using a TriFinger robot to manipulate a cube along a specified positional trajectory, but with no requirement for the cube to have any specific orientation. We used a relatively simple reward function, a combination of goal-based sparse reward and distance reward, in conjunction with Hindsight Experience Replay (HER) to guide the learning of the DRL agent (Deep Deterministic Policy Gradient (DDPG)). Our approach allowed our agents to acquire dexterous robotic manipulation strategies in simulation. These strategies were then applied to the real robot and outperformed all other competition submissions, including those using more traditional robotic control techniques, in the final evaluation stage of the RRC. Here we extend this method, by modifying the task of Phase 1 of the RRC to require the robot to maintain the cube in a particular orientation, while the cube is moved along the required positional trajectory. The requirement to also orient the cube makes the agent unable to learn the task through blind exploration due to increased problem complexity. To circumvent this issue, we make novel use of a Knowledge Transfer (KT) technique that allows the strategies learned by the agent in the original task (which was agnostic to cube orientation) to be transferred to this task (where orientation matters). KT allowed the agent to learn and perform the extended task in the simulator, which improved the average positional deviation from 0.134 m to 0.02 m, and average orientation deviation from 142{\deg} to 76{\deg} during evaluation. This KT concept shows good generalisation properties and could be applied to any actor-critic learning algorithm.

Algorithmic decision making driven by neural networks has become very prominent in applications that directly affect people's quality of life. In this paper, we study the problem of verifying, training, and guaranteeing individual fairness of neural network models. A popular approach for enforcing fairness is to translate a fairness notion into constraints over the parameters of the model. However, such a translation does not always guarantee fair predictions of the trained neural network model. To address this challenge, we develop a counterexample-guided post-processing technique to provably enforce fairness constraints at prediction time. Contrary to prior work that enforces fairness only on points around test or train data, we are able to enforce and guarantee fairness on all points in the input domain. Additionally, we propose an in-processing technique to use fairness as an inductive bias by iteratively incorporating fairness counterexamples in the learning process. We have implemented these techniques in a tool called FETA. Empirical evaluation on real-world datasets indicates that FETA is not only able to guarantee fairness on-the-fly at prediction time but also is able to train accurate models exhibiting a much higher degree of individual fairness.

The remarkable ability of language models (LMs) has also brought challenges at the interface of AI and security. A critical challenge pertains to how much information these models retain and leak about the training data. This is particularly urgent as the typical development of LMs relies on huge, often highly sensitive data, such as emails and chat logs. To contrast this shortcoming, this paper introduces Context-Aware Differentially Private Language Model (CADP-LM) , a privacy-preserving LM framework that relies on two key insights: First, it utilizes the notion of \emph{context} to define and audit the potentially sensitive information. Second, it adopts the notion of Differential Privacy to protect sensitive information and characterize the privacy leakage. A unique characteristic of CADP-LM is its ability to target the protection of sensitive sentences and contexts only, providing a highly accurate private model. Experiments on a variety of datasets and settings demonstrate these strengths of CADP-LM.

Neural networks (NNs) are known to be vulnerable against adversarial perturbations, and thus there is a line of work aiming to provide robustness certification for NNs, such as randomized smoothing, which samples smoothing noises from a certain distribution to certify the robustness for a smoothed classifier. However, as shown by previous work, the certified robust radius in randomized smoothing suffers from scaling to large datasets ("curse of dimensionality"). To overcome this hurdle, we propose a Double Sampling Randomized Smoothing (DSRS) framework, which exploits the sampled probability from an additional smoothing distribution to tighten the robustness certification of the previous smoothed classifier. Theoretically, under mild assumptions, we prove that DSRS can certify $\Theta(\sqrt d)$ robust radius under $\ell_2$ norm where $d$ is the input dimension, implying that DSRS may be able to break the curse of dimensionality of randomized smoothing. We instantiate DSRS for a generalized family of Gaussian smoothing and propose an efficient and sound computing method based on customized dual optimization considering sampling error. Extensive experiments on MNIST, CIFAR-10, and ImageNet verify our theory and show that DSRS certifies larger robust radii than existing baselines consistently under different settings. Code is available at https://github.com/llylly/DSRS.

Recently, the Successor Features and Generalized Policy Improvement (SF&GPI) framework has been proposed as a method for learning, composing, and transferring predictive knowledge and behavior. SF&GPI works by having an agent learn predictive representations (SFs) that can be combined for transfer to new tasks with GPI. However, to be effective this approach requires state features that are useful to predict, and these state-features are typically hand-designed. In this work, we present a novel neural network architecture, "Modular Successor Feature Approximators" (MSFA), where modules both discover what is useful to predict, and learn their own predictive representations. We show that MSFA is able to better generalize compared to baseline architectures for learning SFs and modular architectures

Semidefinite programs (SDPs) are convex optimization programs with vast applications in control theory, quantum information, combinatorial optimization and operational research. Noisy intermediate-scale quantum (NISQ) algorithms aim to make an efficient use of the current generation of quantum hardware. However, optimizing variational quantum algorithms is a challenge as it is an NP-hard problem that in general requires an exponential time to solve and can contain many far from optimal local minima. Here, we present a current term NISQ algorithm for solving SDPs. The classical optimization program of our NISQ solver is another SDP over a lower dimensional ansatz space. We harness the SDP based formulation of the Hamiltonian ground state problem to design a NISQ eigensolver. Unlike variational quantum eigensolvers, the classical optimization program of our eigensolver is convex, can be solved in polynomial time with the number of ansatz parameters and every local minimum is a global minimum. We find numeric evidence that NISQ SDP can improve the estimation of ground state energies in a scalable manner. Further, we efficiently solve constrained problems to calculate the excited states of Hamiltonians, find the lowest energy of symmetry constrained Hamiltonians and determine the optimal measurements for quantum state discrimination. We demonstrate the potential of our approach by finding the largest eigenvalue of up to $2^{1000}$ dimensional matrices and solving graph problems related to quantum contextuality. We also discuss NISQ algorithms for rank-constrained SDPs. Our work extends the application of NISQ computers onto one of the most successful algorithmic frameworks of the past few decades.

While many organizations have shifted to working remotely during the COVID-19 pandemic, how the remote workforce and the remote teams are influenced by and would respond to this and future shocks remain largely unknown. Software developers have relied on remote collaborations long before the pandemic, working in virtual teams (GitHub repositories). The dynamics of these repositories through the pandemic provide a unique opportunity to understand how remote teams react under shock. This work presents a systematic analysis. We measure the overall effect of the early pandemic on public GitHub repositories by comparing their sizes and productivity with the counterfactual outcomes forecasted as if there were no pandemic. We find that the productivity level and the number of active members of these teams vary significantly during different periods of the pandemic. We then conduct a finer-grained investigation and study the heterogeneous effects of the shock on individual teams. We find that the resilience of a team is highly correlated to certain properties of the team before the pandemic. Through a bootstrapped regression analysis, we reveal which types of teams are robust or fragile to the shock.

In this paper, we investigate the online allocation problem of maximizing the overall revenue subject to both lower and upper bound constraints. Compared to the extensively studied online problems with only resource upper bounds, the two-sided constraints affect the prospects of resource consumption more severely. As a result, only limited violations of constraints or pessimistic competitive bounds could be guaranteed. To tackle the challenge, we define a measure of feasibility $\xi^*$ to evaluate the hardness of this problem, and estimate this measurement by an optimization routine with theoretical guarantees. We propose an online algorithm adopting a constructive framework, where we initialize a threshold price vector using the estimation, then dynamically update the price vector and use it for decision-making at each step. It can be shown that the proposed algorithm is $\big(1-O(\frac{\varepsilon}{\xi^*-\varepsilon})\big)$ or $\big(1-O(\frac{\varepsilon}{\xi^*-\sqrt{\varepsilon}})\big)$ competitive with high probability for $\xi^*$ known or unknown respectively. To the best of our knowledge, this is the first result establishing a nearly optimal competitive algorithm for solving two-sided constrained online allocation problems with a high probability of feasibility.

Out-of-distribution (OOD) detection plays a crucial role in ensuring the safe deployment of deep neural network (DNN) classifiers. While a myriad of methods have focused on improving the performance of OOD detectors, a critical gap remains in interpreting their decisions. We help bridge this gap by providing explanations for OOD detectors based on learned high-level concepts. We first propose two new metrics for assessing the effectiveness of a particular set of concepts for explaining OOD detectors: 1) detection completeness, which quantifies the sufficiency of concepts for explaining an OOD-detector's decisions, and 2) concept separability, which captures the distributional separation between in-distribution and OOD data in the concept space. Based on these metrics, we propose a framework for learning a set of concepts that satisfy the desired properties of detection completeness and concept separability and demonstrate the framework's effectiveness in providing concept-based explanations for diverse OOD techniques. We also show how to identify prominent concepts that contribute to the detection results via a modified Shapley value-based importance score.

Federated learning (FL) has recently emerged as a distributed machine learning paradigm for systems with limited and intermittent connectivity. This paper presents the new context brought to FL by satellite constellations, where the connectivity patterns are significantly different from the ones observed in conventional terrestrial FL. The focus is on large constellations in low earth orbit (LEO), where each satellites participates in a data-driven FL task using a locally stored dataset. This scenario is motivated by the trend towards mega constellations of interconnected small satellites in LEO and the integration of artificial intelligence in satellites. We propose a classification of satellite FL based on the communication capabilities of the satellites, the constellation design, and the location of the parameter server. A comprehensive overview of the current state-of-the-art in this field is provided and the unique challenges and opportunities of satellite FL are discussed. Finally, we outline several open research directions for FL in satellite constellations and present some future perspectives on this topic.

This work presents an approach for incrementally updating deep neural network (DNN) models in a non-stationary environment. DNN models are sensitive to changes in input data distribution, which limits their application to problem settings with stationary input datasets. In a non-stationary environment, updating a DNN model requires parameter re-training or model fine-tuning. We propose an unsupervised source-free method to update DNN classification models. The contributions of this work are two-fold. First, we use trainable Gaussian prototypes to generate representative samples for future iterations; second, using unsupervised domain adaptation, we incrementally adapt the existing model using unlabelled data. Unlike existing methods, our approach can update a DNN model incrementally for non-stationary source and target tasks without storing past training data. We evaluated our work on incremental sentiment prediction and incremental disease prediction applications and compared our approach to state-of-the-art continual learning, domain adaptation, and ensemble learning methods. Our results show that our approach achieved improved performance compared to existing incremental learning methods. We observe minimal forgetting of past knowledge over many iterations, which can help us develop unsupervised self-learning systems.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework.

It has been observed that neural networks perform poorly when the data or tasks are presented sequentially. Unlike humans, neural networks suffer greatly from catastrophic forgetting, making it impossible to perform life-long learning. To address this issue, memory-based continual learning has been actively studied and stands out as one of the best-performing methods. We examine memory-based continual learning and identify that large variation in the representation space is crucial for avoiding catastrophic forgetting. Motivated by this, we propose to diversify representations by using two types of perturbations: model-agnostic variation (i.e., the variation is generated without the knowledge of the learned neural network) and model-based variation (i.e., the variation is conditioned on the learned neural network). We demonstrate that enlarging representational variation serves as a general principle to improve continual learning. Finally, we perform empirical studies which demonstrate that our method, as a simple plug-and-play component, can consistently improve a number of memory-based continual learning methods by a large margin.

Generative adversarial networks (GANs) are one powerful type of deep learning models that have been successfully utilized in numerous fields. They belong to a broader family called generative methods, which generate new data with a probabilistic model by learning sample distribution from real examples. In the clinical context, GANs have shown enhanced capabilities in capturing spatially complex, nonlinear, and potentially subtle disease effects compared to traditional generative methods. This review appraises the existing literature on the applications of GANs in imaging studies of various neurological conditions, including Alzheimer's disease, brain tumors, brain aging, and multiple sclerosis. We provide an intuitive explanation of various GAN methods for each application and further discuss the main challenges, open questions, and promising future directions of leveraging GANs in neuroimaging. We aim to bridge the gap between advanced deep learning methods and neurology research by highlighting how GANs can be leveraged to support clinical decision making and contribute to a better understanding of the structural and functional patterns of brain diseases.

In recent years, there have been significant advances in the use of deep learning methods in inverse problems such as denoising, compressive sensing, inpainting, and super-resolution. While this line of works has predominantly been driven by practical algorithms and experiments, it has also given rise to a variety of intriguing theoretical problems. In this paper, we survey some of the prominent theoretical developments in this line of works, focusing in particular on generative priors, untrained neural network priors, and unfolding algorithms. In addition to summarizing existing results in these topics, we highlight several ongoing challenges and open problems.

We present an algorithm for learning mixtures of Markov chains and Markov decision processes (MDPs) from short unlabeled trajectories. Specifically, our method handles mixtures of Markov chains with optional control input by going through a multi-step process, involving (1) a subspace estimation step, (2) spectral clustering of trajectories using "pairwise distance estimators," along with refinement using the EM algorithm, (3) a model estimation step, and (4) a classification step for predicting labels of new trajectories. We provide end-to-end performance guarantees, where we only explicitly require the length of trajectories to be linear in the number of states and the number of trajectories to be linear in a mixing time parameter. Experimental results support these guarantees, where we attain 96.6% average accuracy on a mixture of two MDPs in gridworld, outperforming the EM algorithm with random initialization (73.2% average accuracy).

Stacking (or stacked generalization) is an ensemble learning method with one main distinctiveness from the rest: even though several base models are trained on the original data set, their predictions are further used as input data for one or more metamodels arranged in at least one extra layer. Composing a stack of models can produce high-performance outcomes, but it usually involves a trial-and-error process. Therefore, our previously developed visual analytics system, StackGenVis, was mainly designed to assist users in choosing a set of top-performing and diverse models by measuring their predictive performance. However, it only employs a single logistic regression metamodel. In this paper, we investigate the impact of alternative metamodels on the performance of stacking ensembles using a novel visualization tool, called MetaStackVis. Our interactive tool helps users to visually explore different singular and pairs of metamodels according to their predictive probabilities and multiple validation metrics, as well as their ability to predict specific problematic data instances. MetaStackVis was evaluated with a usage scenario based on a medical data set and via expert interviews.

We introduce Progressive Prompts - a simple and efficient approach for continual learning in language models. Our method allows forward transfer and resists catastrophic forgetting, without relying on data replay or a large number of task-specific parameters. Progressive Prompts learns a new soft prompt for each task and sequentially concatenates it with the previously learned prompts, while keeping the base model frozen. Experiments on standard continual learning benchmarks show that our approach outperforms state-of-the-art methods, with an improvement >20% in average test accuracy over the previous best-preforming method on T5 model. We also explore a more challenging continual learning setup with longer sequences of tasks and show that Progressive Prompts significantly outperforms prior methods.

Offline reinforcement learning aims to train a policy on a pre-recorded and fixed dataset without any additional environment interactions. There are two major challenges in this setting: (1) extrapolation error caused by approximating the value of state-action pairs not well-covered by the training data and (2) distributional shift between behavior and inference policies. One way to tackle these problems is to induce conservatism - i.e., keeping the learned policies closer to the behavioral ones. To achieve this, we build upon recent works on learning policies in latent action spaces and use a special form of Normalizing Flows for constructing a generative model, which we use as a conservative action encoder. This Normalizing Flows action encoder is pre-trained in a supervised manner on the offline dataset, and then an additional policy model - controller in the latent space - is trained via reinforcement learning. This approach avoids querying actions outside of the training dataset and therefore does not require additional regularization for out-of-dataset actions. We evaluate our method on various locomotion and navigation tasks, demonstrating that our approach outperforms recently proposed algorithms with generative action models on a large portion of datasets.

Graph Semi-Supervised learning is an important data analysis tool, where given a graph and a set of labeled nodes, the aim is to infer the labels to the remaining unlabeled nodes. In this paper, we start by considering an optimization-based formulation of the problem for an undirected graph, and then we extend this formulation to multilayer hypergraphs. We solve the problem using different coordinate descent approaches and compare the results with the ones obtained by the classic gradient descent method. Experiments on synthetic and real-world datasets show the potential of using coordinate descent methods with suitable selection rules.

Deep metric learning (DML) aims to minimize empirical expected loss of the pairwise intra-/inter- class proximity violations in the embedding image. We relate DML to feasibility problem of finite chance constraints. We show that minimizer of proxy-based DML satisfies certain chance constraints, and that the worst case generalization performance of the proxy-based methods can be characterized by the radius of the smallest ball around a class proxy to cover the entire domain of the corresponding class samples, suggesting multiple proxies per class helps performance. To provide a scalable algorithm as well as exploiting more proxies, we consider the chance constraints implied by the minimizers of proxy-based DML instances and reformulate DML as finding a feasible point in intersection of such constraints, resulting in a problem to be approximately solved by iterative projections. Simply put, we repeatedly train a regularized proxy-based loss and re-initialize the proxies with the embeddings of the deliberately selected new samples. We apply our method with the well-accepted losses and evaluate on four popular benchmark datasets for image retrieval. Outperforming state-of-the-art, our method consistently improves the performance of the applied losses. Code is available at: https://github.com/yetigurbuz/ccp-dml

TemporAI is an open source Python software library for machine learning (ML) tasks involving data with a time component, focused on medicine and healthcare use cases. It supports data in time series, static, and eventmodalities and provides an interface for prediction, causal inference, and time-to-event analysis, as well as common preprocessing utilities and model interpretability methods. The library aims to facilitate innovation in the medical ML space by offering a standardized temporal setting toolkit for model development, prototyping and benchmarking, bridging the gaps in the ML research, healthcare professional, medical/pharmacological industry, and data science communities. TemporAI is available on GitHub (https://github.com/vanderschaarlab/temporai) and we welcome community engagement through use, feedback, and code contributions.

This manuscript proposes to extend the information set of time-series regression trees with latent stationary factors extracted via state-space methods. In doing so, this approach generalises time-series regression trees on two dimensions. First, it allows to handle predictors that exhibit measurement error, non-stationary trends, seasonality and/or irregularities such as missing observations. Second, it gives a transparent way for using domain-specific theory to inform time-series regression trees. As a byproduct, this technique sets the foundations for structuring powerful ensembles. Their real-world applicability is studied under the lenses of empirical macro-finance.

Hindsight goal relabeling has become a foundational technique in multi-goal reinforcement learning (RL). The essential idea is that any trajectory can be seen as a sub-optimal demonstration for reaching its final state. Intuitively, learning from those arbitrary demonstrations can be seen as a form of imitation learning (IL). However, the connection between hindsight goal relabeling and imitation learning is not well understood. In this paper, we propose a novel framework to understand hindsight goal relabeling from a divergence minimization perspective. Recasting the goal reaching problem in the IL framework not only allows us to derive several existing methods from first principles, but also provides us with the tools from IL to improve goal reaching algorithms. Experimentally, we find that under hindsight relabeling, Q-learning outperforms behavioral cloning (BC). Yet, a vanilla combination of both hurts performance. Concretely, we see that the BC loss only helps when selectively applied to actions that get the agent closer to the goal according to the Q-function. Our framework also explains the puzzling phenomenon wherein a reward of (-1, 0) results in significantly better performance than a (0, 1) reward for goal reaching.

Federated learning (FL) is a general principle for decentralized clients to train a server model collectively without sharing local data. FL is a promising framework with practical applications, but its standard training paradigm requires the clients to backpropagate through the model to compute gradients. Since these clients are typically edge devices and not fully trusted, executing backpropagation on them incurs computational and storage overhead as well as white-box vulnerability. In light of this, we develop backpropagation-free federated learning, dubbed BAFFLE, in which backpropagation is replaced by multiple forward processes to estimate gradients. BAFFLE is 1) memory-efficient and easily fits uploading bandwidth; 2) compatible with inference-only hardware optimization and model quantization or pruning; and 3) well-suited to trusted execution environments, because the clients in BAFFLE only execute forward propagation and return a set of scalars to the server. Empirically we use BAFFLE to train deep models from scratch or to finetune pretrained models, achieving acceptable results. Code is available in https://github.com/FengHZ/BAFFLE.

We construct a reduced, data-driven, parameter dependent effective Stochastic Differential Equation (eSDE) for electric-field mediated colloidal crystallization using data obtained from Brownian Dynamics Simulations. We use Diffusion Maps (a manifold learning algorithm) to identify a set of useful latent observables. In this latent space we identify an eSDE using a deep learning architecture inspired by numerical stochastic integrators and compare it with the traditional Kramers-Moyal expansion estimation. We show that the obtained variables and the learned dynamics accurately encode the physics of the Brownian Dynamic Simulations. We further illustrate that our reduced model captures the dynamics of corresponding experimental data. Our dimension reduction/reduced model identification approach can be easily ported to a broad class of particle systems dynamics experiments/models.

We propose methods for the analysis of hierarchical clustering that fully use the multi-resolution structure provided by a dendrogram. Specifically, we propose a loss for choosing between clustering methods, a feature importance score and a graphical tool for visualizing the segmentation of features in a dendrogram. Current approaches to these tasks lead to loss of information since they require the user to generate a single partition of the instances by cutting the dendrogram at a specified level. Our proposed methods, instead, use the full structure of the dendrogram. The key insight behind the proposed methods is to view a dendrogram as a phylogeny. This analogy permits the assignment of a feature value to each internal node of a tree through an evolutionary model. Real and simulated datasets provide evidence that our proposed framework has desirable outcomes and gives more insights than state-of-art approaches. We provide an R package that implements our methods.  ( 2 min )

Transformer is the cornerstone model of Natural Language Processing (NLP) over the past decade. Despite its great success in Deep Learning (DL) applications, the increasingly growing parameter space required by transformer models boosts the demand on accelerating the performance of transformer models. In addition, NLP problems can commonly be faced with variable-length sequences since their word numbers can vary among sentences. Existing DL frameworks need to pad variable-length sequences to the maximal length, which, however, leads to significant memory and computational overhead. In this paper, we present ByteTransformer, a high-performance transformer boosted for variable-length inputs. We propose a zero padding algorithm that enables the whole transformer to be free from redundant computations on useless padded tokens. Besides the algorithmic level optimization, we provide architectural-aware optimizations for transformer functioning modules, especially the performance-critical algorithm, multi-head attention (MHA). Experimental results on an NVIDIA A100 GPU with variable-length sequence inputs validate that our fused MHA (FMHA) outperforms the standard PyTorch MHA by 6.13X. The end-to-end performance of ByteTransformer for a standard BERT transformer model surpasses the state-of-the-art Transformer frameworks, such as PyTorch JIT, TensorFlow XLA, Tencent TurboTransformer and NVIDIA FasterTransformer, by 87\%, 131\%, 138\% and 46\%, respectively.  ( 2 min )

Consider an online convex optimization problem where the loss functions are self-concordant barriers, smooth relative to a convex function $h$, and possibly non-Lipschitz. We analyze the regret of online mirror descent with $h$. Then, based on the result, we prove the following in a unified manner. Denote by $T$ the time horizon and $d$ the parameter dimension. 1. For online portfolio selection, the regret of $\widetilde{\text{EG}}$, a variant of exponentiated gradient due to Helmbold et al., is $\tilde{O} ( T^{2/3} d^{1/3} )$ when $T > 4 d / \log d$. This improves on the original $\tilde{O} ( T^{3/4} d^{1/2} )$ regret bound for $\widetilde{\text{EG}}$. 2. For online portfolio selection, the regret of online mirror descent with the logarithmic barrier is $\tilde{O}(\sqrt{T d})$. The regret bound is the same as that of Soft-Bayes due to Orseau et al. up to logarithmic terms. 3. For online learning quantum states with the logarithmic loss, the regret of online mirror descent with the log-determinant function is also $\tilde{O} ( \sqrt{T d} )$. Its per-iteration time is shorter than all existing algorithms we know.  ( 2 min )

Image quality is important, and can affect overall performance in image processing and computer vision as well as for numerous other reasons. Image quality assessment (IQA) is consequently a vital task in different applications from aerial photography interpretation to object detection to medical image analysis. In previous research, the BRISQUE algorithm and the PSNR algorithm were evaluated with high resolution (atleast 512x384 pixels), but relatively small image sets (no more than 4,744 images). However, scientists have not evaluated IQA algorithms on low resolution (no more than 32x32 pixels), multi-perturbation, big image sets (for example, tleast 60,000 different images not counting their perturbations). This study explores these two IQA algorithms through experimental investigation. We first chose two deep learning image sets, CIFAR-10 and MNIST. Then, we added 68 perturbations that add noise to the images in specific sequences and noise intensities. In addition, we tracked the performance outputs of the two IQA algorithms with singly and multiply noised images. After quantitatively analyzing experimental results, we report the limitations of the two IQAs with these noised CIFAR-10 and MNIST image sets. We also explain three potential root causes for performance degradation. These findings point out weaknesses of the two IQA algorithms. The research results provide guidance to scientists and engineers developing accurate, robust IQA algorithms. All source codes, related image sets, and figures are shared on the website (https://github.com/caperock/imagequality) to support future scientific and industrial projects.  ( 2 min )

Off-policy evaluation (OPE) aims to accurately evaluate the performance of counterfactual policies using only offline logged data. Although many estimators have been developed, there is no single estimator that dominates the others, because the estimators' accuracy can vary greatly depending on a given OPE task such as the evaluation policy, number of actions, and noise level. Thus, the data-driven estimator selection problem is becoming increasingly important and can have a significant impact on the accuracy of OPE. However, identifying the most accurate estimator using only the logged data is quite challenging because the ground-truth estimation accuracy of estimators is generally unavailable. This paper studies this challenging problem of estimator selection for OPE for the first time. In particular, we enable an estimator selection that is adaptive to a given OPE task, by appropriately subsampling available logged data and constructing pseudo policies useful for the underlying estimator selection task. Comprehensive experiments on both synthetic and real-world company data demonstrate that the proposed procedure substantially improves the estimator selection compared to a non-adaptive heuristic.  ( 2 min )

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating sufficient numbers of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves highly ineffective and time-consuming for the task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first provide a new insight on the majority-focused nature of the diffusion models: they denoise in favor of the majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating the low-likelihood minority samples over existing generative frameworks including the standard diffusion sampler.  ( 2 min )

Distributed quantum information processing protocols such as quantum entanglement distillation and quantum state discrimination rely on local operations and classical communications (LOCC). Existing LOCC-based protocols typically assume the availability of ideal, noiseless, communication channels. In this paper, we study the case in which classical communication takes place over noisy channels, and we propose to address the design of LOCC protocols in this setting via the use of quantum machine learning tools. We specifically focus on the important tasks of quantum entanglement distillation and quantum state discrimination, and implement local processing through parameterized quantum circuits (PQCs) that are optimized to maximize the average fidelity and average success probability in the respective tasks, while accounting for communication errors. The introduced approach, Noise Aware-LOCCNet (NA-LOCCNet), is shown to have significant advantages over existing protocols designed for noiseless communications.  ( 2 min )

Enumerating the directed acyclic graphs (DAGs) of a Markov equivalence class (MEC) is an important primitive in causal analysis. The central resource from the perspective of computational complexity is the delay, that is, the time an algorithm that lists all members of the class requires between two consecutive outputs. Commonly used algorithms for this task utilize the rules proposed by Meek (1995) or the transformational characterization by Chickering (1995), both resulting in superlinear delay. In this paper, we present the first linear-time delay algorithm. On the theoretical side, we show that our algorithm can be generalized to enumerate DAGs represented by models that incorporate background knowledge, such as MPDAGs; on the practical side, we provide an efficient implementation and evaluate it in a series of experiments. Complementary to the linear-time delay algorithm, we also provide intriguing insights into Markov equivalence itself: All members of an MEC can be enumerated such that two successive DAGs have structural Hamming distance at most three.  ( 2 min )

Pretrained large language models (LLMs) are widely used in many sub-fields of natural language processing (NLP) and generally known as excellent few-shot learners with task-specific exemplars. Notably, chain of thought (CoT) prompting, a recent technique for eliciting complex multi-step reasoning through step-by-step answer examples, achieved the state-of-the-art performances in arithmetics and symbolic reasoning, difficult system-2 tasks that do not follow the standard scaling laws for LLMs. While these successes are often attributed to LLMs' ability for few-shot learning, we show that LLMs are decent zero-shot reasoners by simply adding "Let's think step by step" before each answer. Experimental results demonstrate that our Zero-shot-CoT, using the same single prompt template, significantly outperforms zero-shot LLM performances on diverse benchmark reasoning tasks including arithmetics (MultiArith, GSM8K, AQUA-RAT, SVAMP), symbolic reasoning (Last Letter, Coin Flip), and other logical reasoning tasks (Date Understanding, Tracking Shuffled Objects), without any hand-crafted few-shot examples, e.g. increasing the accuracy on MultiArith from 17.7% to 78.7% and GSM8K from 10.4% to 40.7% with large InstructGPT model (text-davinci-002), as well as similar magnitudes of improvements with another off-the-shelf large model, 540B parameter PaLM. The versatility of this single prompt across very diverse reasoning tasks hints at untapped and understudied fundamental zero-shot capabilities of LLMs, suggesting high-level, multi-task broad cognitive capabilities may be extracted by simple prompting. We hope our work not only serves as the minimal strongest zero-shot baseline for the challenging reasoning benchmarks, but also highlights the importance of carefully exploring and analyzing the enormous zero-shot knowledge hidden inside LLMs before crafting finetuning datasets or few-shot exemplars.  ( 3 min )

Existing dialogue modeling methods have achieved promising performance on various dialogue tasks with the aid of Transformer and the large-scale pre-trained language models. However, some recent studies revealed that the context representations produced by these methods suffer the problem of anisotropy. In this paper, we find that the generated representations are also not conversational, losing the conversation structure information during the context modeling stage. To this end, we identify two properties in dialogue modeling, i.e., locality and isotropy, and present a simple method for dialogue representation calibration, namely SimDRC, to build isotropic and conversational feature spaces. Experimental results show that our approach significantly outperforms the current state-of-the-art models on three dialogue tasks across the automatic and human evaluation metrics. More in-depth analyses further confirm the effectiveness of our proposed approach.

No existing spherical convolutional neural network (CNN) framework is both computationally scalable and rotationally equivariant. Continuous approaches capture rotational equivariance but are often prohibitively computationally demanding. Discrete approaches offer more favorable computational performance but at the cost of equivariance. We develop a hybrid discrete-continuous (DISCO) group convolution that is simultaneously equivariant and computationally scalable to high-resolution. While our framework can be applied to any compact group, we specialize to the sphere. Our DISCO spherical convolutions exhibit $\text{SO}(3)$ rotational equivariance, where $\text{SO}(n)$ is the special orthogonal group representing rotations in $n$-dimensions. When restricting rotations of the convolution to the quotient space $\text{SO}(3)/\text{SO}(2)$ for further computational enhancements, we recover a form of asymptotic $\text{SO}(3)$ rotational equivariance. Through a sparse tensor implementation we achieve linear scaling in number of pixels on the sphere for both computational cost and memory usage. For 4k spherical images we realize a saving of $10^9$ in computational cost and $10^4$ in memory usage when compared to the most efficient alternative equivariant spherical convolution. We apply the DISCO spherical CNN framework to a number of benchmark dense-prediction problems on the sphere, such as semantic segmentation and depth estimation, on all of which we achieve the state-of-the-art performance.  ( 2 min )

Recurrent neural networks (RNNs) are widely used throughout neuroscience as models of local neural activity. Many properties of single RNNs are well characterized theoretically, but experimental neuroscience has moved in the direction of studying multiple interacting areas, and RNN theory needs to be likewise extended. We take a constructive approach towards this problem, leveraging tools from nonlinear control theory and machine learning to characterize when combinations of stable RNNs will themselves be stable. Importantly, we derive conditions which allow for massive feedback connections between interacting RNNs. We parameterize these conditions for easy optimization using gradient-based techniques, and show that stability-constrained "networks of networks" can perform well on challenging sequential-processing benchmark tasks. Altogether, our results provide a principled approach towards understanding distributed, modular function in the brain.  ( 2 min )

The paper proposes a family of communication efficient methods for distributed learning in heterogeneous environments in which users obtain data from one of $K$ different data distributions. In the proposed setup, the grouping of users based on the data distributions they sample, as well as the underlying statistical properties of the distributions are apriori unknown. A family of One-shot Distributed Clustered Learning methods (ODCL-$\mathcal{C}$) is proposed, parametrized by the set of admissible clustering algorithms $\mathcal{C}$, with the objective of learning the true model at each user. The admissible clustering methods include $K$-means (KM) and convex clustering (CC), giving rise to various one-shot methods within the proposed family, such as ODCL-KM and ODCL-CC. The proposed one-shot approach, based on local computations at the users and a clustering based aggregation step at the server is shown to provide strong learning guarantees. In particular, for strongly convex problems it is shown that, as long as the number of data points per user is above a threshold, the proposed approach achieves order-optimal mean-squared error (MSE) rates in terms of the sample size. An explicit characterization of the threshold is provided in terms of the problem parameters. Numerical experiments illustrate the findings and corroborate the performance of the proposed methods. We also highlight the trade-offs with respect to selecting various clustering methods (ODCL-CC, ODCL-KM) and demonstrate significant improvements over state-of-the-art.  ( 2 min )

Many areas of science make extensive use of computer simulators that implicitly encode likelihood functions of complex systems. Classical statistical methods are poorly suited for these so-called likelihood-free inference (LFI) settings, particularly outside asymptotic and low-dimensional regimes. Although new machine learning methods, such as normalizing flows, have revolutionized the sample efficiency and capacity of LFI methods, it remains an open question whether they produce confidence sets with correct conditional coverage for small sample sizes. This paper unifies classical statistics with modern machine learning to present (i) a practical procedure for the Neyman construction of confidence sets with finite-sample guarantees of nominal coverage, and (ii) diagnostics that estimate conditional coverage over the entire parameter space. We refer to our framework as likelihood-free frequentist inference (LF2I). Any method that defines a test statistic, like the likelihood ratio, can leverage the LF2I machinery to create valid confidence sets and diagnostics without costly Monte Carlo samples at fixed parameter settings. We study the power of two test statistics (ACORE and BFF), which, respectively, maximize versus integrate an odds function over the parameter space. Our paper discusses the benefits and challenges of LF2I, with a breakdown of the sources of errors in LF2I confidence sets.

Assortment optimization has received active explorations in the past few decades due to its practical importance. Despite the extensive literature dealing with optimization algorithms and latent score estimation, uncertainty quantification for the optimal assortment still needs to be explored and is of great practical significance. Instead of estimating and recovering the complete optimal offer set, decision makers may only be interested in testing whether a given property holds true for the optimal assortment, such as whether they should include several products of interest in the optimal set, or how many categories of products the optimal set should include. This paper proposes a novel inferential framework for testing such properties. We consider the widely adopted multinomial logit (MNL) model, where we assume that each customer will purchase an item within the offered products with a probability proportional to the underlying preference score associated with the product. We reduce inferring a general optimal assortment property to quantifying the uncertainty associated with the sign change point detection of the marginal revenue gaps. We show the asymptotic normality of the marginal revenue gap estimator, and construct a maximum statistic via the gap estimators to detect the sign change point. By approximating the distribution of the maximum statistic with multiplier bootstrap techniques, we propose a valid testing procedure. We also conduct numerical experiments to assess the performance of our method.

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the 'manifoldness' of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.  ( 2 min )

Privacy-preserving distributed distribution comparison measures the distance between the distributions whose data are scattered across different agents in a distributed system and cannot be shared among the agents. In this study, we propose a novel decentralized entropic optimal transport (EOT) method, which provides a privacy-preserving and communication-efficient solution to this problem with theoretical guarantees. In particular, we design a mini-batch randomized block-coordinate descent (MRBCD) scheme to optimize the decentralized EOT distance in its dual form. The dual variables are scattered across different agents and updated locally and iteratively with limited communications among partial agents. The kernel matrix involved in the gradients of the dual variables is estimated by a distributed kernel approximation method, and each agent only needs to approximate and store a sub-kernel matrix by one-shot communication and without sharing raw data. We analyze our method's communication complexity and provide a theoretical bound for the approximation error caused by the convergence error, the approximated kernel, and the mismatch between the storage and communication protocols. Experiments on synthetic data and real-world distributed domain adaptation tasks demonstrate the effectiveness of our method.

Traditionally, the random noise is equally injected when training with different data instances in the field of differential privacy (DP). In this paper, we first give sharper excess risk bounds of DP stochastic gradient descent (SGD) method. Considering most of the previous methods are under convex conditions, we use Polyak-{\L}ojasiewicz condition to relax it in this paper. Then, after observing that different training data instances affect the machine learning model to different extent, we consider the heterogeneity of training data and attempt to improve the performance of DP-SGD from a new perspective. Specifically, by introducing the influence function (IF), we quantitatively measure the contributions of various training data on the final machine learning model. If the contribution made by a single data instance is so little that attackers cannot infer anything from the model, we do not add noise when training with it. Based on this observation, we design a `Performance Improving' DP-SGD algorithm: PIDP-SGD. Theoretical and experimental results show that our proposed PIDP-SGD improves the performance significantly.

We investigate the expressive power of depth-2 bandlimited random neural networks. A random net is a neural network where the hidden layer parameters are frozen with random assignment, and only the output layer parameters are trained by loss minimization. Using random weights for a hidden layer is an effective method to avoid non-convex optimization in standard gradient descent learning. It has also been adopted in recent deep learning theories. Despite the well-known fact that a neural network is a universal approximator, in this study, we mathematically show that when hidden parameters are distributed in a bounded domain, the network may not achieve zero approximation error. In particular, we derive a new nontrivial approximation error lower bound. The proof utilizes the technique of ridgelet analysis, a harmonic analysis method designed for neural networks. This method is inspired by fundamental principles in classical signal processing, specifically the idea that signals with limited bandwidth may not always be able to perfectly recreate the original signal. We corroborate our theoretical results with various simulation studies, and generally, two main take-home messages are offered: (i) Not any distribution for selecting random weights is feasible to build a universal approximator; (ii) A suitable assignment of random weights exists but to some degree is associated with the complexity of the target function.

Cancer is a term that denotes a group of diseases caused by abnormal growth of cells that can spread in different parts of the body. According to the World Health Organization (WHO), cancer is the second major cause of death after cardiovascular diseases. Gene expression can play a fundamental role in the early detection of cancer, as it is indicative of the biochemical processes in tissue and cells, as well as the genetic characteristics of an organism. Deoxyribonucleic Acid (DNA) microarrays and Ribonucleic Acid (RNA)- sequencing methods for gene expression data allow quantifying the expression levels of genes and produce valuable data for computational analysis. This study reviews recent progress in gene expression analysis for cancer classification using machine learning methods. Both conventional and deep learning-based approaches are reviewed, with an emphasis on the ap-plication of deep learning models due to their comparative advantages for identifying gene patterns that are distinctive for various types of cancers. Relevant works that employ the most commonly used deep neural network architectures are covered, including multi-layer perceptrons, convolutional, recurrent, graph, and transformer networks. This survey also presents an overview of the data collection methods for gene expression analysis and lists important datasets that are commonly used for supervised machine learning for this task. Furthermore, reviewed are pertinent techniques for feature engineering and data preprocessing that are typically used to handle the high dimensionality of gene expression data, caused by a large number of genes present in data samples. The paper concludes with a discussion of future research directions for machine learning-based gene expression analysis for cancer classification.

Domain generalization (DG) seeks predictors which perform well on unseen test distributions by leveraging data drawn from multiple related training distributions or domains. To achieve this, DG is commonly formulated as an average- or worst-case problem over the set of possible domains. However, predictors that perform well on average lack robustness while predictors that perform well in the worst case tend to be overly-conservative. To address this, we propose a new probabilistic framework for DG where the goal is to learn predictors that perform well with high probability. Our key idea is that distribution shifts seen during training should inform us of probable shifts at test time, which we realize by explicitly relating training and test domains as draws from the same underlying meta-distribution. To achieve probable DG, we propose a new optimization problem called Quantile Risk Minimization (QRM). By minimizing the $\alpha$-quantile of predictor's risk distribution over domains, QRM seeks predictors that perform well with probability $\alpha$. To solve QRM in practice, we propose the Empirical QRM (EQRM) algorithm and provide: (i) a generalization bound for EQRM; and (ii) the conditions under which EQRM recovers the causal predictor as $\alpha \to 1$. In our experiments, we introduce a more holistic quantile-focused evaluation protocol for DG and demonstrate that EQRM outperforms state-of-the-art baselines on datasets from WILDS and DomainBed.  ( 2 min )

Tuning all the hyperparameters of differentially private (DP) machine learning (ML) algorithms often requires use of sensitive data and this may leak private information via hyperparameter values. Recently, Papernot and Steinke (2022) proposed a certain class of DP hyperparameter tuning algorithms, where the number of random search samples is randomized itself. Commonly, these algorithms still considerably increase the DP privacy parameter $\varepsilon$ over non-tuned DP ML model training and can be computationally heavy as evaluating each hyperparameter candidate requires a new training run. We focus on lowering both the DP bounds and the computational complexity of these methods by using only a random subset of the sensitive data for the hyperparameter tuning and by extrapolating the optimal values from the small dataset to a larger dataset. We provide a R\'enyi differential privacy analysis for the proposed method and experimentally show that it consistently leads to better privacy-utility trade-off than the baseline method by Papernot and Steinke (2022).

In this paper, we study kernelized bandits with distributed biased feedback. This problem is motivated by several real-world applications (such as dynamic pricing, cellular network configuration, and policy making), where users from a large population contribute to the reward of the action chosen by a central entity, but it is difficult to collect feedback from all users. Instead, only biased feedback (due to user heterogeneity) from a subset of users may be available. In addition to such partial biased feedback, we are also faced with two practical challenges due to communication cost and computation complexity. To tackle these challenges, we carefully design a new \emph{distributed phase-then-batch-based elimination (\texttt{DPBE})} algorithm, which samples users in phases for collecting feedback to reduce the bias and employs \emph{maximum variance reduction} to select actions in batches within each phase. By properly choosing the phase length, the batch size, and the confidence width used for eliminating suboptimal actions, we show that \texttt{DPBE} achieves a sublinear regret of $\tilde{O}(T^{1-\alpha/2}+\sqrt{\gamma_T T})$, where $\alpha\in (0,1)$ is the user-sampling parameter one can tune. Moreover, \texttt{DPBE} can significantly reduce both communication cost and computation complexity in distributed kernelized bandits, compared to some variants of the state-of-the-art algorithms (originally developed for standard kernelized bandits). Furthermore, by incorporating various \emph{differential privacy} models (including the central, local, and shuffle models), we generalize \texttt{DPBE} to provide privacy guarantees for users participating in the distributed learning process. Finally, we conduct extensive simulations to validate our theoretical results and evaluate the empirical performance.

Offline safe RL is of great practical relevance for deploying agents in real-world applications. However, acquiring constraint-satisfying policies from the fixed dataset is non-trivial for conventional approaches. Even worse, the learned constraints are stationary and may become invalid when the online safety requirement changes. In this paper, we present a novel offline safe RL approach referred to as SaFormer, which tackles the above issues via conditional sequence modeling. In contrast to existing sequence models, we propose cost-related tokens to restrict the action space and a posterior safety verification to enforce the constraint explicitly. Specifically, SaFormer performs a two-stage auto-regression conditioned by the maximum remaining cost to generate feasible candidates. It then filters out unsafe attempts and executes the optimal action with the highest expected return. Extensive experiments demonstrate the efficacy of SaFormer featuring (1) competitive returns with tightened constraint satisfaction; (2) adaptability to the in-range cost values of the offline data without retraining; (3) generalizability for constraints beyond the current dataset.  ( 2 min )

Recent works on neural network pruning advocate that reducing the depth of the network is more effective in reducing run-time memory usage and accelerating inference latency than reducing the width of the network through channel pruning. In this regard, some recent works propose depth compression algorithms that merge convolution layers. However, the existing algorithms have a constricted search space and rely on human-engineered heuristics. In this paper, we propose a novel depth compression algorithm which targets general convolution operations. We propose a subset selection problem that replaces inefficient activation layers with identity functions and optimally merges consecutive convolution operations into shallow equivalent convolution operations for efficient end-to-end inference latency. Since the proposed subset selection problem is NP-hard, we formulate a surrogate optimization problem that can be solved exactly via two-stage dynamic programming within a few seconds. We evaluate our methods and baselines by TensorRT for a fair inference latency comparison. Our method outperforms the baseline method with higher accuracy and faster inference speed in MobileNetV2 on the ImageNet dataset. Specifically, we achieve $1.61\times$speed-up with only $0.62$\%p accuracy drop in MobileNetV2-1.4 on the ImageNet.

The advancement of distributed generation technologies in modern power systems has led to a widespread integration of renewable power generation at customer side. However, the intermittent nature of renewable energy poses new challenges to the network operational planning with underlying uncertainties. This paper proposes a novel Bayesian probabilistic technique for forecasting renewable solar generation by addressing data and model uncertainties by integrating bidirectional long short-term memory (BiLSTM) neural networks while compressing the weight parameters using variational autoencoder (VAE). Existing Bayesian deep learning methods suffer from high computational complexities as they require to draw a large number of samples from weight parameters expressed in the form of probability distributions. The proposed method can deal with uncertainty present in model and data in a more computationally efficient manner by reducing the dimensionality of model parameters. The proposed method is evaluated using quantile loss, reconstruction error, and deterministic forecasting evaluation metrics such as root-mean square error. It is inferred from the numerical results that VAE-Bayesian BiLSTM outperforms other probabilistic and deterministic deep learning methods for solar power forecasting in terms of accuracy and computational efficiency for different sizes of the dataset.

We present a subset selection algorithm designed to work with arbitrary model families in a practical batch setting. In such a setting, an algorithm can sample examples one at a time but, in order to limit overhead costs, is only able to update its state (i.e. further train model weights) once a large enough batch of examples is selected. Our algorithm, IWeS, selects examples by importance sampling where the sampling probability assigned to each example is based on the entropy of models trained on previously selected batches. IWeS admits significant performance improvement compared to other subset selection algorithms for seven publicly available datasets. Additionally, it is competitive in an active learning setting, where the label information is not available at selection time. We also provide an initial theoretical analysis to support our importance weighting approach, proving generalization and sampling rate bounds.

Neuro-symbolic methods integrate neural architectures, knowledge representation and reasoning. However, they have been struggling at both dealing with the intrinsic uncertainty of the observations and scaling to real-world applications. This paper presents Relational Reasoning Networks (R2N), a novel end-to-end model that performs relational reasoning in the latent space of a deep learner architecture, where the representations of constants, ground atoms and their manipulations are learned in an integrated fashion. Unlike flat architectures like Knowledge Graph Embedders, which can only represent relations between entities, R2Ns define an additional computational structure, accounting for higher-level relations among the ground atoms. The considered relations can be explicitly known, like the ones defined by logic formulas, or defined as unconstrained correlations among groups of ground atoms. R2Ns can be applied to purely symbolic tasks or as a neuro-symbolic platform to integrate learning and reasoning in heterogeneous problems with both symbolic and feature-based represented entities. The proposed model overtakes the limitations of previous neuro-symbolic methods that have been either limited in terms of scalability or expressivity. The proposed methodology is shown to achieve state-of-the-art results in different experimental settings.

Due to the inability to interact with the environment, offline reinforcement learning (RL) methods face the challenge of estimating the Out-of-Distribution (OOD) points. Most existing methods exclude the OOD areas or restrict the value of $Q$ function. However, these methods either are over-conservative or suffer from model uncertainty prediction. In this paper, we propose an authorized probabilistic-control policy learning (APAC) method. The proposed method learns the distribution characteristics of the feasible states/actions by utilizing the flow-GAN model. Specifically, APAC avoids taking action in the low probability density region of behavior policy, while allows exploration in the authorized high probability density region. Theoretical proofs are provided to justify the advantage of APAC. Empirically, APAC outperforms existing alternatives on a variety of simulated tasks, and yields higher expected returns.

Today, artificial neural networks are the state of the art for solving a variety of complex tasks, especially in image classification. Such architectures consist of a sequence of stacked layers with the aim of extracting useful information and having it processed by a classifier to make accurate predictions. However, intermediate information within such models is often left unused. In other cases, such as in edge computing contexts, these architectures are divided into multiple partitions that are made functional by including early exits, i.e. intermediate classifiers, with the goal of reducing the computational and temporal load without extremely compromising the accuracy of the classifications. In this paper, we present Anticipate, Ensemble and Prune (AEP), a new training technique based on weighted ensembles of early exits, which aims at exploiting the information in the structure of networks to maximise their performance. Through a comprehensive set of experiments, we show how the use of this approach can yield average accuracy improvements of up to 15% over traditional training. In its hybrid-weighted configuration, AEP's internal pruning operation also allows reducing the number of parameters by up to 41%, lowering the number of multiplications and additions by 18% and the latency time to make inference by 16%. By using AEP, it is also possible to learn weights that allow early exits to achieve better accuracy values than those obtained from single-output reference models.

Spiking neural network (SNN) operating with asynchronous discrete events shows higher energy efficiency. A popular approach to implementing deep SNNs is ANN-SNN conversion combining both efficient training of ANNs and efficient inference of SNNs. However, due to the intrinsic difference between ANNs and SNNs, the accuracy loss is usually non-negligible, especially under low simulating steps. It restricts the applications of SNN on latency-sensitive edge devices greatly. In this paper, we identify such performance degradation stems from the misrepresentation of the negative or overflow residual membrane potential in SNNs. Inspired by this, we systematically analyze the conversion error between SNNs and ANNs, and then decompose it into three folds: quantization error, clipping error, and residual membrane potential representation error. With such insights, we propose a dual-phase conversion algorithm to minimize those errors separately. Besides, we show each phase achieves significant performance gains in a complementary manner. We evaluate our method on challenging datasets including CIFAR-10, CIFAR-100, and ImageNet datasets. The experimental results show the proposed method achieves the state-of-the-art in terms of both accuracy and latency with promising energy preservation compared to ANNs. For instance, our method achieves an accuracy of 73.20% on CIFAR-100 in only 2 time steps with 15.7$\times$ less energy consumption.

Source separation entails the ill-posed problem of retrieving a set of source signals observed through a mixing operator. Solving this problem requires prior knowledge, which is commonly incorporated by imposing regularity conditions on the source signals or implicitly learned in supervised or unsupervised methods from existing data. While data-driven methods have shown great promise in source separation, they are often dependent on large amounts of data, which rarely exists in planetary space missions. Considering this challenge, we propose an unsupervised source separation scheme for domains with limited data access that involves solving an optimization problem in the wavelet scattering representation space$\unicode{x2014}$an interpretable low-dimensional representation of stationary processes. We present a real-data example in which we remove transient thermally induced microtilts, known as glitches, from data recorded by a seismometer during NASA's InSight mission on Mars. Owing to the wavelet scattering covariances' ability to capture non-Gaussian properties of stochastic processes, we are able to separate glitches using only a few glitch-free data snippets.

Geo-tagged photo based tourist attraction recommendation can discover users' travel preferences from their taken photos, so as to recommend suitable tourist attractions to them. However, existing visual content based methods cannot fully exploit the user and tourist attraction information of photos to extract visual features, and do not differentiate the significances of different photos. In this paper, we propose multi-level visual similarity based personalized tourist attraction recommendation using geo-tagged photos (MEAL). MEAL utilizes the visual contents of photos and interaction behavior data to obtain the final embeddings of users and tourist attractions, which are then used to predict the visit probabilities. Specifically, by crossing the user and tourist attraction information of photos, we define four visual similarity levels and introduce a corresponding quintuplet loss to embed the visual contents of photos. In addition, to capture the significances of different photos, we exploit the self-attention mechanism to obtain the visual representations of users and tourist attractions. We conducted experiments on a dataset crawled from Flickr, and the experimental results proved the advantage of this method.

Real-world systems are made of interacting entities that evolve with time. Creating models that can forecast interactions by learning the dynamics of entities is an important problem in numerous fields. Earlier works used dynamic graph models to achieve this. However, real-world interactions are more complex than pairwise, as they involve more than two entities, and many of these higher-order interactions have directional components. Examples of these can be seen in communication networks such as email exchanges that involve a sender, and multiple recipients, citation networks, where authors draw upon the work of others, and so on. In this paper, we solve the problem of higher-order directed interaction forecasting by proposing a deep neural network-based model \textit{Directed HyperNode Temporal Point Process} for directed hyperedge event forecasting, as hyperedge provides native framework for modeling relationships among the variable number of nodes. Our proposed technique reduces the search space of possible candidate hyperedges by first forecasting the nodes at which events will be observed, based on which it generates candidate hyperedges. To demonstrate the efficiency of our model, we curated four datasets and conducted an extensive empirical study. We believe that this is the first work that solves the problem of forecasting higher-order directional interactions.

Prompting approaches have been recently explored in text style transfer, where a textual prompt is used to query a pretrained language model to generate style-transferred texts word by word in an autoregressive manner. However, such a generation process is less controllable and early prediction errors may affect future word predictions. In this paper, we present a prompt-based editing approach for text style transfer. Specifically, we prompt a pretrained language model for style classification and use the classification probability to compute a style score. Then, we perform discrete search with word-level editing to maximize a comprehensive scoring function for the style-transfer task. In this way, we transform a prompt-based generation problem into a classification one, which is a training-free process and more controllable than the autoregressive generation of sentences. In our experiments, we performed both automatic and human evaluation on three style-transfer benchmark datasets, and show that our approach largely outperforms the state-of-the-art systems that have 20 times more parameters. Additional empirical analyses further demonstrate the effectiveness of our approach.

Large pretrained language models have been widely used in downstream NLP tasks via task-specific fine-tuning. Recently, an array of Parameter-Efficient Fine-Tuning (PEFT) methods have also achieved strong task performance while updating a much smaller number of parameters compared to full model tuning. However, it is non-trivial to make informed per-task design choices (i.e., to create PEFT configurations) concerning the selection of PEFT architectures and modules, the number of tunable parameters, and even the layers in which the PEFT modules are inserted. Consequently, it is highly likely that the current, manually set PEFT configurations might be suboptimal for many tasks from the perspective of the performance-to-efficiency trade-off. To address the core question of the PEFT configuration selection that aims to control and maximise the balance between performance and parameter efficiency, we first define a rich configuration search space spanning multiple representative PEFT modules along with finer-grained configuration decisions over the modules (e.g., parameter budget, insertion layer). We then propose AutoPEFT, a novel framework to traverse this configuration space: it automatically configures multiple PEFT modules via high-dimensional Bayesian optimisation. We show the resource scalability and task transferability of AutoPEFT-found configurations, outperforming existing PEFT methods on average on the standard GLUE benchmark while conducting the configuration search on a single task. The per-task AutoPEFT-based configuration search even outperforms full-model fine-tuning.

Directed Exploration is a crucial challenge in reinforcement learning (RL), especially when rewards are sparse. Information-directed sampling (IDS), which optimizes the information ratio, seeks to do so by augmenting regret with information gain. However, estimating information gain is computationally intractable or relies on restrictive assumptions which prohibit its use in many practical instances. In this work, we posit an alternative exploration incentive in terms of the integral probability metric (IPM) between a current estimate of the transition model and the unknown optimal, which under suitable conditions, can be computed in closed form with the kernelized Stein discrepancy (KSD). Based on KSD, we develop a novel algorithm STEERING: \textbf{STE}in information dir\textbf{E}cted exploration for model-based \textbf{R}einforcement Learn\textbf{ING}. To enable its derivation, we develop fundamentally new variants of KSD for discrete conditional distributions. We further establish that STEERING archives sublinear Bayesian regret, improving upon prior learning rates of information-augmented MBRL, IDS included. Experimentally, we show that the proposed algorithm is computationally affordable and outperforms several prior approaches.

Neural networks achieved high performance over different tasks, i.e. image identification, voice recognition and other applications. Despite their success, these models are still vulnerable regarding small perturbations, which can be used to craft the so-called adversarial examples. Different approaches have been proposed to circumvent their vulnerability, including formal verification systems, which employ a variety of techniques, including reachability, optimization and search procedures, to verify that the model satisfies some property. In this paper we propose three novel reachability algorithms for verifying deep neural networks with ReLU activations. The first and third algorithms compute an over-approximation for the reachable set, whereas the second one computes the exact reachable set. Differently from previously proposed approaches, our algorithms take as input a V-polytope. Our experiments on the ACAS Xu problem show that the Exact Polytope Network Mapping (EPNM) reachability algorithm proposed in this work surpass the state-of-the-art results from the literature, specially in relation to other reachability methods.

This work presents an incremental learning approach for autonomous agents to learn new tasks in a non-stationary environment. Updating a DNN model-based agent to learn new target tasks requires us to store past training data and needs a large labeled target task dataset. Few-shot task incremental learning methods overcome the limitation of labeled target datasets by adapting trained models to learn private target classes using a few labeled representatives and a large unlabeled target dataset. However, the methods assume that the source and target tasks are stationary. We propose a one-shot task incremental learning approach that can adapt to non-stationary source and target tasks. Our approach minimizes adversarial discrepancy between the model's feature space and incoming incremental data to learn an updated hypothesis. We also use distillation loss to reduce catastrophic forgetting of previously learned tasks. Finally, we use Gaussian prototypes to generate exemplar instances eliminating the need to store past training data. Unlike current work in task incremental learning, our model can learn both source and target task updates incrementally. We evaluate our method on various problem settings for incremental object detection and disease prediction model update. We evaluate our approach by measuring the performance of shared class and target private class prediction. Our results show that our approach achieved improved performance compared to existing state-of-the-art task incremental learning methods.

Decades of practices of ramp metering, by controlling downstream volume and smoothing the interweaving traffic, have proved that ramp metering can decrease total travel time, mitigate shockwaves, decrease rear-end collisions, reduce pollution, etc. Besides traditional methods like ALIENA algorithms, Deep Reinforcement Learning algorithms have been established recently to build finer control on ramp metering. However, those Deep Learning models may be venerable to adversarial attacks. Thus, it is important to investigate the robustness of those models under False Data Injection adversarial attack. Furthermore, algorithms capable of detecting anomaly data from clean data are the key to safeguard Deep Learning algorithm. In this study, an online algorithm that can distinguish adversarial data from clean data are tested. Results found that in most cases anomaly data can be distinguished from clean data, although their difference is too small to be manually distinguished by humans. In practice, whenever adversarial/hazardous data is detected, the system can fall back to a fixed control program, and experts should investigate the detectors status or security protocols afterwards before real damages happen.

Most of today's communication systems are designed to target reliable message recovery after receiving the entire encoded message (codeword). However, in many practical scenarios, the transmission process may be interrupted before receiving the complete codeword. This paper proposes a novel rateless autoencoder (AE)-based code design suitable for decoding the transmitted message before the noisy codeword is fully received. Using particular dropout strategies applied during the training process, rateless AE codes allow to trade off between decoding delay and reliability, providing a graceful improvement of the latter with each additionally received codeword symbol. The proposed rateless AEs significantly outperform the conventional AE designs for scenarios where it is desirable to trade off reliability for lower decoding delay.

Text-to-image diffusion models have recently received a lot of interest for their astonishing ability to produce high-fidelity images from text only. However, achieving one-shot generation that aligns with the user's intent is nearly impossible, yet small changes to the input prompt often result in very different images. This leaves the user with little semantic control. To put the user in control, we show how to interact with the diffusion process to flexibly steer it along semantic directions. This semantic guidance (SEGA) allows for subtle and extensive edits, changes in composition and style, as well as optimizing the overall artistic conception. We demonstrate SEGA's effectiveness on a variety of tasks and provide evidence for its versatility and flexibility.  ( 2 min )

We study the problem of performance optimization of closed-loop control systems with unmodeled dynamics. Bayesian optimization (BO) has been demonstrated to be effective for improving closed-loop performance by automatically tuning controller gains or reference setpoints in a model-free manner. However, BO methods have rarely been tested on dynamical systems with unmodeled constraints and time-varying ambient conditions. In this paper, we propose a violation-aware contextual BO algorithm (VACBO) that optimizes closed-loop performance while simultaneously learning constraint-feasible solutions under time-varying ambient conditions. Unlike classical constrained BO methods which allow unlimited constraint violations, or 'safe' BO algorithms that are conservative and try to operate with near-zero violations, we allow budgeted constraint violations to improve constraint learning and accelerate optimization. We demonstrate the effectiveness of our proposed VACBO method for energy minimization of industrial vapor compression systems under time-varying ambient temperature and humidity.

Neural network controllers (NNCs) have shown great promise in autonomous and cyber-physical systems. Despite the various verification approaches for neural networks, the safety analysis of NNCs remains an open problem. Existing verification approaches for neural network control systems (NNCSs) either can only work on a limited type of activation functions, or result in non-trivial over-approximation errors with time evolving. This paper proposes a verification framework for NNCS based on Lipschitzian optimisation, called DeepNNC. We first prove the Lipschitz continuity of closed-loop NNCSs by unrolling and eliminating the loops. We then reveal the working principles of applying Lipschitzian optimisation on NNCS verification and illustrate it by verifying an adaptive cruise control model. Compared to state-of-the-art verification approaches, DeepNNC shows superior performance in terms of efficiency and accuracy over a wide range of NNCs. We also provide a case study to demonstrate the capability of DeepNNC to handle a real-world, practical, and complex system. Our tool \textbf{DeepNNC} is available at \url{https://github.com/TrustAI/DeepNNC}.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

There are many recent research efforts to fine-tune a pre-trained generator with a few target images to generate images of a novel domain. Unfortunately, these methods often suffer from overfitting or under-fitting when fine-tuned with a single target image. To address this, here we present a novel single-shot GAN adaptation method through unified CLIP space manipulations. Specifically, our model employs a two-step training strategy: reference image search in the source generator using a CLIP-guided latent optimization, followed by generator fine-tuning with a novel loss function that imposes CLIP space consistency between the source and adapted generators. To further improve the adapted model to produce spatially consistent samples with respect to the source generator, we also propose contrastive regularization for patchwise relationships in the CLIP space. Experimental results show that our model generates diverse outputs with the target texture and outperforms the baseline models both qualitatively and quantitatively. Furthermore, we show that our CLIP space manipulation strategy allows more effective attribute editing.  ( 2 min )

Graph Neural Networks (GNNs) are powerful in learning rich network representations that aid the performance of downstream tasks. However, recent studies showed that GNNs are vulnerable to adversarial attacks involving node injection and network perturbation. Among these, node injection attacks are more practical as they don't require manipulation in the existing network and can be performed more realistically. In this paper, we propose a novel problem statement - a class-specific poison attack on graphs in which the attacker aims to misclassify specific nodes in the target class into a different class using node injection. Additionally, nodes are injected in such a way that they camouflage as benign nodes. We propose NICKI, a novel attacking strategy that utilizes an optimization-based approach to sabotage the performance of GNN-based node classifiers. NICKI works in two phases - it first learns the node representation and then generates the features and edges of the injected nodes. Extensive experiments and ablation studies on four benchmark networks show that NICKI is consistently better than four baseline attacking strategies for misclassifying nodes in the target class. We also show that the injected nodes are properly camouflaged as benign, thus making the poisoned graph indistinguishable from its clean version w.r.t various topological properties.

We study nonlinear optimization problems with a stochastic objective and deterministic equality and inequality constraints, which emerge in numerous applications including finance, manufacturing, power systems and, recently, deep neural networks. We propose an active-set stochastic sequential quadratic programming (StoSQP) algorithm that utilizes a differentiable exact augmented Lagrangian as the merit function. The algorithm adaptively selects the penalty parameters of the augmented Lagrangian and performs a stochastic line search to decide the stepsize. The global convergence is established: for any initialization, the KKT residuals converge to zero almost surely. Our algorithm and analysis further develop the prior work of Na et al., (2022). Specifically, we allow nonlinear inequality constraints without requiring the strict complementary condition; refine some of the designs in Na et al., (2022) such as the feasibility error condition and the monotonically increasing sample size; strengthen the global convergence guarantee; and improve the sample complexity on the objective Hessian. We demonstrate the performance of the designed algorithm on a subset of nonlinear problems collected in CUTEst test set and on constrained logistic regression problems.

With model trustworthiness being crucial for sensitive real-world applications, practitioners are putting more and more focus on improving the uncertainty calibration of deep neural networks. Calibration errors are designed to quantify the reliability of probabilistic predictions but their estimators are usually biased and inconsistent. In this work, we introduce the framework of proper calibration errors, which relates every calibration error to a proper score and provides a respective upper bound with optimal estimation properties. This relationship can be used to reliably quantify the model calibration improvement. We theoretically and empirically demonstrate the shortcomings of commonly used estimators compared to our approach. Due to the wide applicability of proper scores, this gives a natural extension of recalibration beyond classification.

Personalized medicine, a paradigm of medicine tailored to a patient's characteristics, is an increasingly attractive field in health care. An important goal of personalized medicine is to identify a subgroup of patients, based on baseline covariates, that benefits more from the targeted treatment than other comparative treatments. Most of the current subgroup identification methods only focus on obtaining a subgroup with an enhanced treatment effect without paying attention to subgroup size. Yet, a clinically meaningful subgroup learning approach should identify the maximum number of patients who can benefit from the better treatment. In this paper, we present an optimal subgroup selection rule (SSR) that maximizes the number of selected patients, and in the meantime, achieves the pre-specified clinically meaningful mean outcome, such as the average treatment effect. We derive two equivalent theoretical forms of the optimal SSR based on the contrast function that describes the treatment-covariates interaction in the outcome. We further propose a ConstrAined PolIcy Tree seArch aLgorithm (CAPITAL) to find the optimal SSR within the interpretable decision tree class. The proposed method is flexible to handle multiple constraints that penalize the inclusion of patients with negative treatment effects, and to address time to event data using the restricted mean survival time as the clinically interesting mean outcome. Extensive simulations, comparison studies, and real data applications are conducted to demonstrate the validity and utility of our method.

Few-shot classification consists of a training phase where a model is learned on a relatively large dataset and an adaptation phase where the learned model is adapted to previously-unseen tasks with limited labeled samples. In this paper, we empirically prove that the training algorithm and the adaptation algorithm can be completely disentangled, which allows algorithm analysis and design to be done individually for each phase. Our meta-analysis for each phase reveals several interesting insights that may help better understand key aspects of few-shot classification and connections with other fields such as visual representation learning and transfer learning. We hope the insights and research challenges revealed in this paper can inspire future work in related directions.

Predictive algorithms, such as deep neural networks (DNNs), are used in many domain sciences to directly estimate internal parameters of interest in simulator-based models, especially in settings where the observations include images or other complex high-dimensional data. In parallel, modern neural density estimators, such as normalizing flows, are becoming increasingly popular for uncertainty quantification, especially when both parameters and observations are high-dimensional. However, parameter inference is an inverse problem and not a prediction task; thus, an open challenge is to construct conditionally valid and precise confidence regions, with a guaranteed probability of covering the true parameters of the data-generating process, no matter what the (unknown) parameter values are, and without relying on large-sample theory. Many simulator-based inference (SBI) methods are indeed known to produce biased or overly confident parameter regions, yielding misleading uncertainty estimates. This paper presents WALDO, a novel method for constructing confidence regions with finite-sample conditional validity by leveraging prediction algorithms or posterior estimators that are currently widely adopted in SBI. WALDO reframes the well-known Wald test statistic, and uses a computationally efficient regression-based machinery for classical Neyman inversion of hypothesis tests. We apply our method to a recent high-energy physics problem, where prediction with DNNs has previously led to estimates with prediction bias. We also illustrate how our approach can correct overly confident posterior regions computed with normalizing flows.

Knowledge distillation (KD) is one of the prominent techniques for model compression. In this method, the knowledge of a large network (teacher) is distilled into a model (student) with usually significantly fewer parameters. KD tries to better-match the output of the student model to that of the teacher model based on the knowledge extracts from the forward pass of the teacher network. Although conventional KD is effective for matching the two networks over the given data points, there is no guarantee that these models would match in other areas for which we do not have enough training samples. In this work, we address that problem by generating new auxiliary training samples based on extracting knowledge from the backward pass of the teacher in the areas where the student diverges greatly from the teacher. We compute the difference between the teacher and the student and generate new data samples that maximize the divergence. This is done by perturbing data samples in the direction of the gradient of the difference between the student and the teacher. Augmenting the training set by adding this auxiliary improves the performance of KD significantly and leads to a closer match between the student and the teacher. Using this approach, when data samples come from a discrete domain, such as applications of natural language processing (NLP) and language understanding, is not trivial. However, we show how this technique can be used successfully in such applications. We evaluated the performance of our method on various tasks in computer vision and NLP domains and got promising results.

So-called implicit behavioral cloning with energy-based models has shown promising results in robotic manipulation tasks. We tested if the method's advantages carry on to controlling the steering of a real self-driving car with an end-to-end driving model. We performed an extensive comparison of the implicit behavioral cloning approach with explicit baseline approaches, all sharing the same neural network backbone architecture. Baseline explicit models were trained with regression (MAE) loss, classification loss (softmax and cross-entropy on a discretization), or as mixture density networks (MDN). While models using the energy-based formulation performed comparably to baseline approaches in terms of safety driver interventions, they had a higher whiteness measure, indicating higher jerk. To alleviate this, we show two methods that can be used to improve the smoothness of steering. We confirmed that energy-based models handle multimodalities slightly better than simple regression, but this did not translate to significantly better driving ability. We argue that the steering-only road-following task has too few multimodalities to benefit from energy-based models. This shows that applying implicit behavioral cloning to real-world tasks can be challenging, and further investigation is needed to bring out the theoretical advantages of energy-based models.

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient descent largely without adapting to the non-convex nature of the problem and can be sensitive to initial values, impeding further performance improvement. In this paper, we propose an efficient amortized optimization scheme for inverse problems with a deep generative prior. Specifically, the optimization task with high degrees of difficulty is decomposed into optimizing a sequence of much easier ones. We provide a theoretical guarantee of the proposed algorithm and empirically validate it on different inverse problems. As a result, our approach outperforms baseline methods qualitatively and quantitatively by a large margin.

We propose policy gradient algorithms which learn risk-sensitive policies in a reinforcement learning (RL) framework. Our proposed algorithms maximize the distortion risk measure (DRM) of the cumulative reward in an episodic Markov decision process in on-policy as well as off-policy RL settings. We derive a variant of the policy gradient theorem that caters to the DRM objective, and use this theorem in conjunction with a likelihood ratio-based gradient estimation scheme. We derive non-asymptotic bounds that establish the convergence of our proposed algorithms to an approximate stationary point of the DRM objective.  ( 2 min )

This paper outlines an end-to-end optimized lossy image compression framework using diffusion generative models. The approach relies on the transform coding paradigm, where an image is mapped into a latent space for entropy coding and, from there, mapped back to the data space for reconstruction. In contrast to VAE-based neural compression, where the (mean) decoder is a deterministic neural network, our decoder is a conditional diffusion model. Our approach thus introduces an additional ``content'' latent variable on which the reverse diffusion process is conditioned and uses this variable to store information about the image. The remaining ``texture'' latent variables characterizing the diffusion process are synthesized (stochastically or deterministically) at decoding time. We show that the model's performance can be tuned toward perceptual metrics of interest. Our extensive experiments involving five datasets and sixteen image quality assessment metrics show that our approach yields the strongest reported FID scores while also yielding competitive performance with state-of-the-art models in several SIM-based reference metrics.  ( 2 min )

While there are many score-based models with various diffusing strategies as well as many numerical schemes of the denoising process, only a few works have explored the score part of the generative SDE. This paper introduces a new generative SDE with score adjustment using an auxiliary discriminator. The goal is to improve the original generative process of a pre-trained diffusion model by estimating the gap between the pre-trained score estimation and the true data score. This is done by training a discriminator that classifies diffused real data and diffused sample data. The gap estimation is then used to adjust the pre-trained score network. In experiments, the method enables new SOTA FIDs of 1.77/1.64 on unconditional/conditional CIFAR-10, and new SOTA FID/sFID of 3.18/4.53 on ImageNet 256x256.  ( 2 min )

We study a novel setting in Online Markov Decision Processes (OMDPs) where the loss function is chosen by a non-oblivious strategic adversary who follows a no-external regret algorithm. In this setting, we first demonstrate that MDP-Expert, an existing algorithm that works well with oblivious adversaries can still apply and achieve a policy regret bound of $\mathcal{O}(\sqrt{T \log(L)}+\tau^2\sqrt{ T \log(|A|)})$ where $L$ is the size of adversary's pure strategy set and $|A|$ denotes the size of agent's action space. Considering real-world games where the support size of a NE is small, we further propose a new algorithm: MDP-Online Oracle Expert (MDP-OOE), that achieves a policy regret bound of $\mathcal{O}(\sqrt{T\log(L)}+\tau^2\sqrt{ T k \log(k)})$ where $k$ depends only on the support size of the NE. MDP-OOE leverages the key benefit of Double Oracle in game theory and thus can solve games with prohibitively large action space. Finally, to better understand the learning dynamics of no-regret methods, under the same setting of no-external regret adversary in OMDPs, we introduce an algorithm that achieves last-round convergence result to a NE. To our best knowledge, this is first work leading to the last iteration result in OMDPs.  ( 2 min )

Quantum machine learning (QML) offers a powerful, flexible paradigm for programming near-term quantum computers, with applications in chemistry, metrology, materials science, data science, and mathematics. Here, one trains an ansatz, in the form of a parameterized quantum circuit, to accomplish a task of interest. However, challenges have recently emerged suggesting that deep ansatzes are difficult to train, due to flat training landscapes caused by randomness or by hardware noise. This motivates our work, where we present a variable structure approach to build ansatzes for QML. Our approach, called VAns (Variable Ansatz), applies a set of rules to both grow and (crucially) remove quantum gates in an informed manner during the optimization. Consequently, VAns is ideally suited to mitigate trainability and noise-related issues by keeping the ansatz shallow. We employ VAns in the variational quantum eigensolver for condensed matter and quantum chemistry applications, in the quantum autoencoder for data compression and in unitary compilation problems showing successful results in all cases.  ( 2 min )

Choosing a good resource configuration for big data analytics applications can be challenging, especially in cloud environments. Automated approaches are desirable as poor decisions can reduce performance and raise costs. The majority of existing automated approaches either build performance models from previous workload executions or conduct iterative resource configuration profiling until a near-optimal solution has been found. In doing so, they only obtain an implicit understanding of the underlying infrastructure, which is difficult to transfer to alternative infrastructures and, thus, profiling and modeling insights are not sustained beyond very specific situations. We present Perona, a novel approach to robust infrastructure fingerprinting for usage in the context of big data analytics. Perona employs common sets and configurations of benchmarking tools for target resources, so that resulting benchmark metrics are directly comparable and ranking is enabled. Insignificant benchmark metrics are discarded by learning a low-dimensional representation of the input metric vector, and previous benchmark executions are taken into consideration for context-awareness as well, allowing to detect resource degradation. We evaluate our approach both on data gathered from our own experiments as well as within related works for resource configuration optimization, demonstrating that Perona captures the characteristics from benchmark runs in a compact manner and produces representations that can be used directly.  ( 2 min )

Personalized decision-making can be implemented in a Federated learning (FL) framework that can collaboratively train a decision model by extracting knowledge across intelligent clients, e.g. smartphones or enterprises. FL can mitigate the data privacy risk of collaborative training since it merely collects local gradients from users without access to their data. However, FL is fragile in the presence of statistical heterogeneity that is commonly encountered in personalized decision-making, e.g., non-IID data over different clients. Existing FL approaches usually update a single global model to capture the shared knowledge of all users by aggregating their gradients, regardless of the discrepancy between their data distributions. By comparison, a mixture of multiple global models could capture the heterogeneity across various clients if assigning the client to different global models (i.e., centers) in FL. To this end, we propose a novel multi-center aggregation mechanism to cluster clients using their models' parameters. It learns multiple global models from data as the cluster centers, and simultaneously derives the optimal matching between users and centers. We then formulate it as an optimization problem that can be efficiently solved by a stochastic expectation maximization (EM) algorithm. Experiments on multiple benchmark datasets of FL show that our method outperforms several popular baseline methods. The experimental source codes are publicly available on the Github repository https://github.com/mingxuts/multi-center-fed-learning .  ( 2 min )

Integral equations (IEs) are equations that model spatiotemporal systems with non-local interactions. They have found important applications throughout theoretical and applied sciences, including in physics, chemistry, biology, and engineering. While efficient algorithms exist for solving given IEs, no method exists that can learn an IE and its associated dynamics from data alone. In this paper, we introduce Neural Integral Equations (NIE), a method that learns an unknown integral operator from data through an IE solver. We also introduce Attentional Neural Integral Equations (ANIE), where the integral is replaced by self-attention, which improves scalability and model capacity. We demonstrate that (A)NIE outperforms other methods in both speed and accuracy on several benchmark tasks in ODE, PDE, and IE systems of synthetic and real-world data.  ( 2 min )

Federated Learning (FL) has gained increasing interest in recent years as a distributed on-device learning paradigm. However, multiple challenges remain to be addressed for deploying FL in real-world Internet-of-Things (IoT) networks with hierarchies. Although existing works have proposed various approaches to account data heterogeneity, system heterogeneity, unexpected stragglers and scalibility, none of them provides a systematic solution to address all of the challenges in a hierarchical and unreliable IoT network. In this paper, we propose an asynchronous and hierarchical framework (Async-HFL) for performing FL in a common three-tier IoT network architecture. In response to the largely varied delays, Async-HFL employs asynchronous aggregations at both the gateway and the cloud levels thus avoids long waiting time. To fully unleash the potential of Async-HFL in converging speed under system heterogeneities and stragglers, we design device selection at the gateway level and device-gateway association at the cloud level. Device selection chooses edge devices to trigger local training in real-time while device-gateway association determines the network topology periodically after several cloud epochs, both satisfying bandwidth limitation. We evaluate Async-HFL's convergence speedup using large-scale simulations based on ns-3 and a network topology from NYCMesh. Our results show that Async-HFL converges 1.08-1.31x faster in wall-clock time and saves up to 21.6% total communication cost compared to state-of-the-art asynchronous FL algorithms (with client selection). We further validate Async-HFL on a physical deployment and observe robust convergence under unexpected stragglers.  ( 2 min )

Domain-specific machine learning (ML) accelerators such as Google's TPU and Apple's Neural Engine now dominate CPUs and GPUs for energy-efficient ML processing. However, the evolution of electronic accelerators is facing fundamental limits due to the limited computation density of monolithic processing chips and the reliance on slow metallic interconnects. In this paper, we present a vision of how optical computation and communication can be integrated into 2.5D chiplet platforms to drive an entirely new class of sustainable and scalable ML hardware accelerators. We describe how cross-layer design and fabrication of optical devices, circuits, and architectures, and hardware/software codesign can help design efficient photonics-based 2.5D chiplet platforms to accelerate emerging ML workloads.  ( 2 min )

Self-supervised sequential recommendation significantly improves recommendation performance by maximizing mutual information with well-designed data augmentations. However, the mutual information estimation is based on the calculation of Kullback Leibler divergence with several limitations, including asymmetrical estimation, the exponential need of the sample size, and training instability. Also, existing data augmentations are mostly stochastic and can potentially break sequential correlations with random modifications. These two issues motivate us to investigate an alternative robust mutual information measurement capable of modeling uncertainty and alleviating KL divergence limitations. To this end, we propose a novel self-supervised learning framework based on Mutual WasserStein discrepancy minimization MStein for the sequential recommendation. We propose the Wasserstein Discrepancy Measurement to measure the mutual information between augmented sequences. Wasserstein Discrepancy Measurement builds upon the 2-Wasserstein distance, which is more robust, more efficient in small batch sizes, and able to model the uncertainty of stochastic augmentation processes. We also propose a novel contrastive learning loss based on Wasserstein Discrepancy Measurement. Extensive experiments on four benchmark datasets demonstrate the effectiveness of MStein over baselines. More quantitative analyses show the robustness against perturbations and training efficiency in batch size. Finally, improvements analysis indicates better representations of popular users or items with significant uncertainty. The source code is at https://github.com/zfan20/MStein.  ( 2 min )

In this paper, we propose several new stochastic second-order algorithms for policy optimization that only require gradient and Hessian-vector product in each iteration, making them computationally efficient and comparable to policy gradient methods. Specifically, we propose a dimension-reduced second-order method (DR-SOPO) which repeatedly solves a projected two-dimensional trust region subproblem. We show that DR-SOPO obtains an $\mathcal{O}(\epsilon^{-3.5})$ complexity for reaching approximate first-order stationary condition and certain subspace second-order stationary condition. In addition, we present an enhanced algorithm (DVR-SOPO) which further improves the complexity to $\mathcal{O}(\epsilon^{-3})$ based on the variance reduction technique. Preliminary experiments show that our proposed algorithms perform favorably compared with stochastic and variance-reduced policy gradient methods.  ( 2 min )

Answering complex queries on incomplete knowledge graphs is a challenging task where a model needs to answer complex logical queries in the presence of missing knowledge. Recently, Arakelyan et al. (2021); Minervini et al. (2022) showed that neural link predictors could also be used for answering complex queries: their Continuous Query Decomposition (CQD) method works by decomposing complex queries into atomic sub-queries, answers them using neural link predictors and aggregates their scores via t-norms for ranking the answers to each complex query. However, CQD does not handle negations and only uses the training signal from atomic training queries: neural link prediction scores are not calibrated to interact together via fuzzy logic t-norms during complex query answering. In this work, we propose to address this problem by training a parameter-efficient score adaptation model to re-calibrate neural link prediction scores: this new component is trained on complex queries by back-propagating through the complex query-answering process. Our method, CQD$^{A}$, produces significantly more accurate results than current state-of-the-art methods, improving from $34.4$ to $35.1$ Mean Reciprocal Rank values averaged across all datasets and query types while using $\leq 35\%$ of the available training query types. We further show that CQD$^{A}$ is data-efficient, achieving competitive results with only $1\%$ of the training data, and robust in out-of-domain evaluations.

Stochastic linear contextual bandit algorithms have substantial applications in practice, such as recommender systems, online advertising, clinical trials, etc. Recent works show that optimal bandit algorithms are vulnerable to adversarial attacks and can fail completely in the presence of attacks. Existing robust bandit algorithms only work for the non-contextual setting under the attack of rewards and cannot improve the robustness in the general and popular contextual bandit environment. In addition, none of the existing methods can defend against attacked context. In this work, we provide the first robust bandit algorithm for stochastic linear contextual bandit setting under a fully adaptive and omniscient attack with sub-linear regret. Our algorithm not only works under the attack of rewards, but also under attacked context. Moreover, it does not need any information about the attack budget or the particular form of the attack. We provide theoretical guarantees for our proposed algorithm and show by experiments that our proposed algorithm improves the robustness against various kinds of popular attacks.

Contrastive Learning (CL) has been proved to be a powerful self-supervised approach for a wide range of domains, including computer vision and graph representation learning. However, the incremental learning issue of CL has rarely been studied, which brings the limitation in applying it to real-world applications. Contrastive learning identifies the samples with the negative ones from the noise distribution that changes in the incremental scenarios. Therefore, only fitting the change of data without noise distribution causes bias, and directly retraining results in low efficiency. To bridge this research gap, we propose a self-supervised Incremental Contrastive Learning (ICL) framework consisting of (i) a novel Incremental InfoNCE (NCE-II) loss function by estimating the change of noise distribution for old data to guarantee no bias with respect to the retraining, (ii) a meta-optimization with deep reinforced Learning Rate Learning (LRL) mechanism which can adaptively learn the learning rate according to the status of the training processes and achieve fast convergence which is critical for incremental learning. Theoretically, the proposed ICL is equivalent to retraining, which is based on solid mathematical derivation. In practice, extensive experiments in different domains demonstrate that, without retraining a new model, ICL achieves up to 16.7x training speedup and 16.8x faster convergence with competitive results.  ( 2 min )

Large neural models (such as Transformers) achieve state-of-the-art performance for information retrieval (IR). In this paper, we aim to improve distillation methods that pave the way for the deployment of such models in practice. The proposed distillation approach supports both retrieval and re-ranking stages and crucially leverages the relative geometry among queries and documents learned by the large teacher model. It goes beyond existing distillation methods in the IR literature, which simply rely on the teacher's scalar scores over the training data, on two fronts: providing stronger signals about local geometry via embedding matching and attaining better coverage of data manifold globally via query generation. Embedding matching provides a stronger signal to align the representations of the teacher and student models. At the same time, query generation explores the data manifold to reduce the discrepancies between the student and teacher where training data is sparse. Our distillation approach is theoretically justified and applies to both dual encoder (DE) and cross-encoder (CE) models. Furthermore, for distilling a CE model to a DE model via embedding matching, we propose a novel dual pooling-based scorer for the CE model that facilitates a distillation-friendly embedding geometry, especially for DE student models.  ( 2 min )

Deep neural networks (DNNs) have seen tremendous success in many fields and their developments in PDE-related problems are rapidly growing. This paper provides an estimate for the generalization error of learning Lipschitz operators over Banach spaces using DNNs with applications to various PDE solution operators. The goal is to specify DNN width, depth, and the number of training samples needed to guarantee a certain testing error. Under mild assumptions on data distributions or operator structures, our analysis shows that deep operator learning can have a relaxed dependence on the discretization resolution of PDEs and, hence, lessen the curse of dimensionality in many PDE-related problems. We apply our results to various PDEs, including elliptic equations, parabolic equations, and Burgers equations.

We propose a novel parameterized skill-learning algorithm that aims to learn transferable parameterized skills and synthesize them into a new action space that supports efficient learning in long-horizon tasks. We propose to leverage off-policy Meta-RL combined with a trajectory-centric smoothness term to learn a set of parameterized skills. Our agent can use these learned skills to construct a three-level hierarchical framework that models a Temporally-extended Parameterized Action Markov Decision Process. We empirically demonstrate that the proposed algorithms enable an agent to solve a set of difficult long-horizon (obstacle-course and robot manipulation) tasks.  ( 2 min )

Gradient-based meta-learning methods have primarily been applied to classical machine learning tasks such as image classification. Recently, PDE-solving deep learning methods, such as neural operators, are starting to make an important impact on learning and predicting the response of a complex physical system directly from observational data. Since the data acquisition in this context is commonly challenging and costly, the call of utilization and transfer of existing knowledge to new and unseen physical systems is even more acute. Herein, we propose a novel meta-learning approach for neural operators, which can be seen as transferring the knowledge of solution operators between governing (unknown) PDEs with varying parameter fields. Our approach is a provably universal solution operator for multiple PDE solving tasks, with a key theoretical observation that underlying parameter fields can be captured in the first layer of neural operator models, in contrast to typical final-layer transfer in existing meta-learning methods. As applications, we demonstrate the efficacy of our proposed approach on PDE-based datasets and a real-world material modeling problem, illustrating that our method can handle complex and nonlinear physical response learning tasks while greatly improving the sampling efficiency in unseen tasks.  ( 2 min )

Bayesian Neural Networks (BNNs) provide a tool to estimate the uncertainty of a neural network by considering a distribution over weights and sampling different models for each input. In this paper, we propose a method for uncertainty estimation in neural networks which, instead of considering a distribution over weights, samples outputs of each layer from a corresponding Gaussian distribution, parametrized by the predictions of mean and variance sub-layers. In uncertainty quality estimation experiments, we show that the proposed method achieves better uncertainty quality than other single-bin Bayesian Model Averaging methods, such as Monte Carlo Dropout or Bayes By Backpropagation methods.  ( 2 min )

Regulation, legal liabilities, and societal concerns challenge the adoption of AI in safety and security-critical applications. One of the key concerns is that adversaries can cause harm by manipulating model predictions without being detected. Regulation hence demands an assessment of the risk of damage caused by adversaries. Yet, there is no method to translate this high-level demand into actionable metrics that quantify the risk of damage. In this article, we propose a method to model and statistically estimate the probability of damage arising from adversarial attacks. We show that our proposed estimator is statistically consistent and unbiased. In experiments, we demonstrate that the estimation results of our method have a clear and actionable interpretation and outperform conventional metrics. We then show how operators can use the estimation results to reliably select the model with the lowest risk.  ( 2 min )

We address end-to-end learned video compression with a special focus on better learning and utilizing temporal contexts. For temporal context mining, we propose to store not only the previously reconstructed frames, but also the propagated features into the generalized decoded picture buffer. From the stored propagated features, we propose to learn multi-scale temporal contexts, and re-fill the learned temporal contexts into the modules of our compression scheme, including the contextual encoder-decoder, the frame generator, and the temporal context encoder. Our scheme discards the parallelization-unfriendly auto-regressive entropy model to pursue a more practical decoding time. We compare our scheme with x264 and x265 (representing industrial software for H.264 and H.265, respectively) as well as the official reference software for H.264, H.265, and H.266 (JM, HM, and VTM, respectively). When intra period is 32 and oriented to PSNR, our scheme outperforms H.265--HM by 14.4% bit rate saving; when oriented to MS-SSIM, our scheme outperforms H.266--VTM by 21.1% bit rate saving.  ( 2 min )

We study the task of prompting large-scale language models to perform multi-step reasoning. Existing work shows that when prompted with a chain of thoughts (CoT), sequences of short sentences describing intermediate reasoning steps towards a final answer, large language models can generate new reasoning chains and predict answers for new inputs. A central question is which reasoning examples make the most effective prompts. In this work, we propose complexity-based prompting, a simple and effective example selection scheme for multi-step reasoning. We show that prompts with higher reasoning complexity, i.e., chains with more reasoning steps, achieve substantially better performance on multi-step reasoning tasks over strong baselines. We further extend our complexity-based criteria from prompting (selecting inputs) to decoding (selecting outputs), where we sample multiple reasoning chains from the model, then choose the majority of generated answers from complex reasoning chains (over simple chains). When used to prompt GPT-3 and Codex, our approach substantially improves multi-step reasoning accuracy and achieves new state-of-the-art (SOTA) performance on three math benchmarks (GSM8K, MultiArith, and MathQA) and two BigBenchHard tasks (Date Understanding and Penguins), with an average +5.3 and up to +18 accuracy improvements. Compared with existing example selection schemes like manual tuning or retrieval-based selection, selection based on reasoning complexity is intuitive, easy to implement, and annotation-efficient. Further results demonstrate the robustness of performance gains from complex prompts under format perturbation and distribution shift.  ( 2 min )

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model real-world scenarios in compact graphical representations of distributions of variables. Graph Neural Networks (GNNs) are new inference methods developed in recent years and are attracting growing attention due to their effectiveness and flexibility in solving inference and learning problems over graph-structured data. These two powerful approaches have different advantages in capturing relations from observations and how they conduct message passing, and they can benefit each other in various tasks. In this survey, we broadly study the intersection of GNNs and PGMs. Specifically, we first discuss how GNNs can benefit from learning structured representations in PGMs, generate explainable predictions by PGMs, and how PGMs can infer object relationships. Then we discuss how GNNs are implemented in PGMs for more efficient inference and structure learning. In the end, we summarize the benchmark datasets used in recent studies and discuss promising future directions.  ( 2 min )

Evaluating the performance of an ongoing policy plays a vital role in many areas such as medicine and economics, to provide crucial instruction on the early-stop of the online experiment and timely feedback from the environment. Policy evaluation in online learning thus attracts increasing attention by inferring the mean outcome of the optimal policy (i.e., the value) in real-time. Yet, such a problem is particularly challenging due to the dependent data generated in the online environment, the unknown optimal policy, and the complex exploration and exploitation trade-off in the adaptive experiment. In this paper, we aim to overcome these difficulties in policy evaluation for online learning. We explicitly derive the probability of exploration that quantifies the probability of exploring the non-optimal actions under commonly used bandit algorithms. We use this probability to conduct valid inference on the online conditional mean estimator under each action and develop the doubly robust interval estimation (DREAM) method to infer the value under the estimated optimal policy in online learning. The proposed value estimator provides double protection on the consistency and is asymptotically normal with a Wald-type confidence interval provided. Extensive simulations and real data applications are conducted to demonstrate the empirical validity of the proposed DREAM method.  ( 2 min )

We propose a graph clustering formulation based on multicut (a.k.a. weighted correlation clustering) on the complete graph. Our formulation does not need specification of the graph topology as in the original sparse formulation of multicut, making our approach simpler and potentially better performing. In contrast to unweighted correlation clustering we allow for a more expressive weighted cost structure. In dense multicut, the clustering objective is given in a factorized form as inner products of node feature vectors. This allows for an efficient formulation and inference in contrast to multicut/weighted correlation clustering, which has at least quadratic representation and computation complexity when working on the complete graph. We show how to rewrite classical greedy algorithms for multicut in our dense setting and how to modify them for greater efficiency and solution quality. In particular, our algorithms scale to graphs with tens of thousands of nodes. Empirical evidence on instance segmentation on Cityscapes and clustering of ImageNet datasets shows the merits of our approach.  ( 2 min )

Detecting anomalies is one fundamental aspect of a safety-critical software system, however, it remains a long-standing problem. Numerous branches of works have been proposed to alleviate the complication and have demonstrated their efficiencies. In particular, self-supervised learning based methods are spurring interest due to their capability of learning diverse representations without additional labels. Among self-supervised learning tactics, contrastive learning is one specific framework validating their superiority in various fields, including anomaly detection. However, the primary objective of contrastive learning is to learn task-agnostic features without any labels, which is not entirely suited to discern anomalies. In this paper, we propose a task-specific variant of contrastive learning named masked contrastive learning, which is more befitted for anomaly detection. Moreover, we propose a new inference method dubbed self-ensemble inference that further boosts performance by leveraging the ability learned through auxiliary self-supervision tasks. By combining our models, we can outperform previous state-of-the-art methods by a significant margin on various benchmark datasets.  ( 2 min )

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid sequences and then finetune the models with some labeled data in downstream tasks. Despite the effectiveness of sequence-based approaches, the power of pretraining on known protein structures, which are available in smaller numbers only, has not been explored for protein property prediction, though protein structures are known to be determinants of protein function. In this paper, we propose to pretrain protein representations according to their 3D structures. We first present a simple yet effective encoder to learn the geometric features of a protein. We pretrain the protein graph encoder by leveraging multiview contrastive learning and different self-prediction tasks. Experimental results on both function prediction and fold classification tasks show that our proposed pretraining methods outperform or are on par with the state-of-the-art sequence-based methods, while using much less pretraining data. Our implementation is available at https://github.com/DeepGraphLearning/GearNet.  ( 2 min )

Since random initial models in Federated Learning (FL) can easily result in unregulated Stochastic Gradient Descent (SGD) processes, existing FL methods greatly suffer from both slow convergence and poor accuracy, especially for non-IID scenarios. To address this problem, we propose a novel FL method named CyclicFL, which can quickly derive effective initial models to guide the SGD processes, thus improving the overall FL training performance. Based on the concept of Continual Learning (CL), we prove that CyclicFL approximates existing centralized pre-training methods in terms of classification and prediction performance. Meanwhile, we formally analyze the significance of data consistency between the pre-training and training stages of CyclicFL, showing the limited Lipschitzness of loss for the pre-trained models by CyclicFL. Unlike traditional centralized pre-training methods that require public proxy data, CyclicFL pre-trains initial models on selected clients cyclically without exposing their local data. Therefore, they can be easily integrated into any security-critical FL methods. Comprehensive experimental results show that CyclicFL can not only improve the classification accuracy by up to 16.21%, but also significantly accelerate the overall FL training processes.  ( 2 min )

In this paper, we investigate the Rademacher complexity of deep sparse neural networks, where each neuron receives a small number of inputs. We prove generalization bounds for multilayered sparse ReLU neural networks, including convolutional neural networks. These bounds differ from previous ones, as they consider the norms of the convolutional filters instead of the norms of the associated Toeplitz matrices, independently of weight sharing between neurons. As we show theoretically, these bounds may be orders of magnitude better than standard norm-based generalization bounds and empirically, they are almost non-vacuous in estimating generalization in various simple classification problems. Taken together, these results suggest that compositional sparsity of the underlying target function is critical to the success of deep neural networks.  ( 2 min )

Reinforcement learning, mathematically described by Markov Decision Problems, may be approached either through dynamic programming or policy search. Actor-critic algorithms combine the merits of both approaches by alternating between steps to estimate the value function and policy gradient updates. Due to the fact that the updates exhibit correlated noise and biased gradient updates, only the asymptotic behavior of actor-critic is known by connecting its behavior to dynamical systems. This work puts forth a new variant of actor-critic that employs Monte Carlo rollouts during the policy search updates, which results in controllable bias that depends on the number of critic evaluations. As a result, we are able to provide for the first time the convergence rate of actor-critic algorithms when the policy search step employs policy gradient, agnostic to the choice of policy evaluation technique. In particular, we establish conditions under which the sample complexity is comparable to stochastic gradient method for non-convex problems or slower as a result of the critic estimation error, which is the main complexity bottleneck. These results hold in continuous state and action spaces with linear function approximation for the value function. We then specialize these conceptual results to the case where the critic is estimated by Temporal Difference, Gradient Temporal Difference, and Accelerated Gradient Temporal Difference. These learning rates are then corroborated on a navigation problem involving an obstacle and the pendulum problem which provide insight into the interplay between optimization and generalization in reinforcement learning.  ( 2 min )

The widespread deployment of deep nets in practical applications has lead to a growing desire to understand how and why such black-box methods perform prediction. Much work has focused on understanding what part of the input pattern (an image, say) is responsible for a particular class being predicted, and how the input may be manipulated to predict a different class. We focus instead on understanding which of the internal features computed by the neural net are responsible for a particular class. We achieve this by mimicking part of the neural net with an oblique decision tree having sparse weight vectors at the decision nodes. Using the recently proposed Tree Alternating Optimization (TAO) algorithm, we are able to learn trees that are both highly accurate and interpretable. Such trees can faithfully mimic the part of the neural net they replaced, and hence they can provide insights into the deep net black box. Further, we show we can easily manipulate the neural net features in order to make the net predict, or not predict, a given class, thus showing that it is possible to carry out adversarial attacks at the level of the features. These insights and manipulations apply globally to the entire training and test set, not just at a local (single-instance) level. We demonstrate this robustly in the MNIST and ImageNet datasets with LeNet5 and VGG networks.  ( 2 min )

We consider off-policy evaluation of dynamic treatment rules under sequential ignorability, given an assumption that the underlying system can be modeled as a partially observed Markov decision process (POMDP). We propose an estimator, partial history importance weighting, and show that it can consistently estimate the stationary mean rewards of a target policy given long enough draws from the behavior policy. We provide an upper bound on its error that decays polynomially in the number of observations (i.e., the number of trajectories times their length), with an exponent that depends on the overlap of the target and behavior policies, and on the mixing time of the underlying system. Furthermore, we show that this rate of convergence is minimax given only our assumptions on mixing and overlap. Our results establish that off-policy evaluation in POMDPs is strictly harder than off-policy evaluation in (fully observed) Markov decision processes, but strictly easier than model-free off-policy evaluation.  ( 2 min )

We introduce a causal framework for designing optimal policies that satisfy fairness constraints. We take a pragmatic approach asking what we can do with an action space available to us and only with access to historical data. We propose two different fairness constraints: a moderation breaking constraint which aims at blocking moderation paths from the action and sensitive attribute to the outcome, and by that at reducing disparity in outcome levels as much as the provided action space permits; and an equal benefit constraint which aims at distributing gain from the new and maximized policy equally across sensitive attribute levels, and thus at keeping pre-existing preferential treatment in place or avoiding the introduction of new disparity. We introduce practical methods for implementing the constraints and illustrate their uses on experiments with semi-synthetic models.  ( 2 min )

Survival analysis studies time-modeling techniques for an event of interest occurring for a population. Survival analysis found widespread applications in healthcare, engineering, and social sciences. However, the data needed to train survival models are often distributed, incomplete, censored, and confidential. In this context, federated learning can be exploited to tremendously improve the quality of the models trained on distributed data while preserving user privacy. However, federated survival analysis is still in its early development, and there is no common benchmarking dataset to test federated survival models. This work proposes a novel technique for constructing realistic heterogeneous datasets by starting from existing non-federated datasets in a reproducible way. Specifically, we provide two novel dataset-splitting algorithms based on the Dirichlet distribution to assign each data sample to a carefully chosen client: quantity-skewed splitting and label-skewed splitting. Furthermore, these algorithms allow for obtaining different levels of heterogeneity by changing a single hyperparameter. Finally, numerical experiments provide a quantitative evaluation of the heterogeneity level using log-rank tests and a qualitative analysis of the generated splits. The implementation of the proposed methods is publicly available in favor of reproducibility and to encourage common practices to simulate federated environments for survival analysis.  ( 2 min )

This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which have been used for distributions over discrete structures such as graphs. We demonstrate that, in certain cases, VI algorithms are equivalent to special cases of GFlowNets in the sense of equality of expected gradients of their learning objectives. We then point out the differences between the two families and show how these differences emerge experimentally. Notably, GFlowNets, which borrow ideas from reinforcement learning, are more amenable than VI to off-policy training without the cost of high gradient variance induced by importance sampling. We argue that this property of GFlowNets can provide advantages for capturing diversity in multimodal target distributions.  ( 2 min )

As a regression technique in spatial statistics, the spatiotemporally varying coefficient model (STVC) is an important tool for discovering nonstationary and interpretable response-covariate associations over both space and time. However, it is difficult to apply STVC for large-scale spatiotemporal analyses due to its high computational cost. To address this challenge, we summarize the spatiotemporally varying coefficients using a third-order tensor structure and propose to reformulate the spatiotemporally varying coefficient model as a special low-rank tensor regression problem. The low-rank decomposition can effectively model the global patterns of the large data sets with a substantially reduced number of parameters. To further incorporate the local spatiotemporal dependencies, we use Gaussian process (GP) priors on the spatial and temporal factor matrices. We refer to the overall framework as Bayesian Kernelized Tensor Regression (BKTR). For model inference, we develop an efficient Markov chain Monte Carlo (MCMC) algorithm, which uses Gibbs sampling to update factor matrices and slice sampling to update kernel hyperparameters. We conduct extensive experiments on both synthetic and real-world data sets, and our results confirm the superior performance and efficiency of BKTR for model estimation and parameter inference.  ( 2 min )

Network intrusion detection systems (NIDSs) play an important role in computer network security. There are several detection mechanisms where anomaly-based automated detection outperforms others significantly. Amid the sophistication and growing number of attacks, dealing with large amounts of data is a recognized issue in the development of anomaly-based NIDS. However, do current models meet the needs of today's networks in terms of required accuracy and dependability? In this research, we propose a new hybrid model that combines machine learning and deep learning to increase detection rates while securing dependability. Our proposed method ensures efficient pre-processing by combining SMOTE for data balancing and XGBoost for feature selection. We compared our developed method to various machine learning and deep learning algorithms to find a more efficient algorithm to implement in the pipeline. Furthermore, we chose the most effective model for network intrusion based on a set of benchmarked performance analysis criteria. Our method produces excellent results when tested on two datasets, KDDCUP'99 and CIC-MalMem-2022, with an accuracy of 99.99% and 100% for KDDCUP'99 and CIC-MalMem-2022, respectively, and no overfitting or Type-1 and Type-2 issues.  ( 2 min )

An individualized decision rule (IDR) is a decision function that assigns each individual a given treatment based on his/her observed characteristics. Most of the existing works in the literature consider settings with binary or finitely many treatment options. In this paper, we focus on the continuous treatment setting and propose a jump interval-learning to develop an individualized interval-valued decision rule (I2DR) that maximizes the expected outcome. Unlike IDRs that recommend a single treatment, the proposed I2DR yields an interval of treatment options for each individual, making it more flexible to implement in practice. To derive an optimal I2DR, our jump interval-learning method estimates the conditional mean of the outcome given the treatment and the covariates via jump penalized regression, and derives the corresponding optimal I2DR based on the estimated outcome regression function. The regressor is allowed to be either linear for clear interpretation or deep neural network to model complex treatment-covariates interactions. To implement jump interval-learning, we develop a searching algorithm based on dynamic programming that efficiently computes the outcome regression function. Statistical properties of the resulting I2DR are established when the outcome regression function is either a piecewise or continuous function over the treatment space. We further develop a procedure to infer the mean outcome under the (estimated) optimal policy. Extensive simulations and a real data application to a warfarin study are conducted to demonstrate the empirical validity of the proposed I2DR.  ( 2 min )

Improving the deployment efficiency of transformer-based language models has been challenging given their high computation and memory cost. While INT8 quantization has recently been shown to be effective in reducing both the memory cost and latency while preserving model accuracy, it remains unclear whether we can leverage INT4 (which doubles peak hardware throughput) to achieve further latency improvement. In this work, we fully investigate the feasibility of using INT4 quantization for language models, and show that using INT4 introduces no or negligible accuracy degradation for encoder-only and encoder-decoder models, but causes a significant accuracy drop for decoder-only models. To materialize the performance gain using INT4, we develop a highly-optimized end-to-end INT4 encoder inference pipeline supporting different quantization strategies. Our INT4 pipeline is $8.5\times$ faster for latency-oriented scenarios and up to $3\times$ for throughput-oriented scenarios compared to the inference of FP16, and improves the SOTA BERT INT8 performance from FasterTransformer by up to $1.7\times$. We also provide insights into the failure cases when applying INT4 to decoder-only models, and further explore the compatibility of INT4 quantization with other compression techniques, like pruning and layer reduction.  ( 2 min )

Existing bounds on the generalization error of deep networks assume some form of smooth or bounded dependence on the input variable, falling short of investigating the mechanisms controlling such factors in practice. In this work, we present an extensive experimental study of the empirical Lipschitz constant of deep networks undergoing double descent, and highlight non-monotonic trends strongly correlating with the test error. Building a connection between parameter-space and input-space gradients for SGD around a critical point, we isolate two important factors -- namely loss landscape curvature and distance of parameters from initialization -- respectively controlling optimization dynamics around a critical point and bounding model function complexity, even beyond the training data. Our study presents novels insights on implicit regularization via overparameterization, and effective model complexity for networks trained in practice.  ( 2 min )

Research on continual learning (CL) mainly focuses on data represented in the Euclidean space, while research on graph-structured data is scarce. Furthermore, most graph learning models are tailored for static graphs. However, graphs usually evolve continually in the real world. Catastrophic forgetting also emerges in graph learning models when being trained incrementally. This leads to the need to develop robust, effective and efficient continual graph learning approaches. Continual graph learning (CGL) is an emerging area aiming to realize continual learning on graph-structured data. This survey is written to shed light on this emerging area. It introduces the basic concepts of CGL and highlights two unique challenges brought by graphs. Then it reviews and categorizes recent state-of-the-art approaches, analyzing their strategies to tackle the unique challenges in CGL. Besides, it discusses the main concerns in each family of CGL methods, offering potential solutions. Finally, it explores the open issues and potential applications of CGL.  ( 2 min )

Predicting how different interventions will causally affect a specific individual is important in a variety of domains such as personalized medicine, public policy, and online marketing. However, most existing causal methods cannot generalize to predicting the effects of previously unseen interventions (e.g., a newly invented drug), because they require data for individuals who received the intervention. Here, we consider zero-shot causal learning: predicting the personalized effects of novel, previously unseen interventions. To tackle this problem, we propose CaML, a causal meta-learning framework which formulates the personalized prediction of each intervention's effect as a task. Rather than training a separate model for each intervention, CaML trains as a single meta-model across thousands of tasks, each constructed by sampling an intervention and individuals who either did or did not receive it. By leveraging both intervention information (e.g., a drug's attributes) and individual features (e.g., a patient's history), CaML is able to predict the personalized effects of unseen interventions. Experimental results on real world datasets in large-scale medical claims and cell-line perturbations demonstrate the effectiveness of our approach. Most strikingly, CaML zero-shot predictions outperform even strong baselines which have direct access to data of considered target interventions.  ( 2 min )

Optimal control of diffusion processes is intimately connected to the problem of solving certain Hamilton-Jacobi-Bellman equations. Building on recent machine learning inspired approaches towards high-dimensional PDEs, we investigate the potential of $\textit{iterative diffusion optimisation}$ techniques, in particular considering applications in importance sampling and rare event simulation, and focusing on problems without diffusion control, with linearly controlled drift and running costs that depend quadratically on the control. More generally, our methods apply to nonlinear parabolic PDEs with a certain shift invariance. The choice of an appropriate loss function being a central element in the algorithmic design, we develop a principled framework based on divergences between path measures, encompassing various existing methods. Motivated by connections to forward-backward SDEs, we propose and study the novel $\textit{log-variance}$ divergence, showing favourable properties of corresponding Monte Carlo estimators. The promise of the developed approach is exemplified by a range of high-dimensional and metastable numerical examples.  ( 2 min )

Should we care whether AI systems have representations of the world that are similar to those of humans? We provide an information-theoretic analysis that suggests that there should be a U-shaped relationship between the degree of representational alignment with humans and performance on few-shot learning tasks. We confirm this prediction empirically, finding such a relationship in an analysis of the performance of 491 computer vision models. We also show that highly-aligned models are more robust to both adversarial attacks and domain shifts. Our results suggest that human-alignment is often a sufficient, but not necessary, condition for models to make effective use of limited data, be robust, and generalize well.  ( 2 min )

The high dimensionality and complex dynamics of turbulent flows remain an obstacle to the discovery and implementation of control strategies. Deep reinforcement learning (RL) is a promising avenue for overcoming these obstacles, but requires a training phase in which the RL agent iteratively interacts with the flow environment to learn a control policy, which can be prohibitively expensive when the environment involves slow experiments or large-scale simulations. We overcome this challenge using a framework we call "DManD-RL" (data-driven manifold dynamics-RL), which generates a data-driven low-dimensional model of our system that we use for RL training. With this approach, we seek to minimize drag in a direct numerical simulation (DNS) of a turbulent minimal flow unit of plane Couette flow at Re=400 using two slot jets on one wall. We obtain, from DNS data with $\mathcal{O}(10^5)$ degrees of freedom, a 25-dimensional DManD model of the dynamics by combining an autoencoder and neural ordinary differential equation. Using this model as the environment, we train an RL control agent, yielding a 440-fold speedup over training on the DNS, with equivalent control performance. The agent learns a policy that laminarizes 84% of unseen DNS test trajectories within 900 time units, significantly outperforming classical opposition control (58%), despite the actuation authority being much more restricted. The agent often achieves laminarization through a counterintuitive strategy that drives the formation of two low-speed streaks, with a spanwise wavelength that is too small to be self-sustaining. The agent demonstrates the same performance when we limit observations to wall shear rate.  ( 2 min )

Reinforcement learning (RL) agents typically learn tabula rasa, without prior knowledge of the world, which makes learning complex tasks with sparse rewards difficult. If initialized with knowledge of high-level subgoals and transitions between subgoals, RL agents could utilize this Abstract World Model (AWM) for planning and exploration. We propose using few-shot large language models (LLMs) to hypothesize an AWM, that is tested and verified during exploration, to improve sample efficiency in embodied RL agents. Our DECKARD agent applies LLM-guided exploration to item crafting in Minecraft in two phases: (1) the Dream phase where the agent uses an LLM to decompose a task into a sequence of subgoals, the hypothesized AWM; and (2) the Wake phase where the agent learns a modular policy for each subgoal and verifies or corrects the hypothesized AWM on the basis of its experiences. Our method of hypothesizing an AWM with LLMs and then verifying the AWM based on agent experience not only increases sample efficiency over contemporary methods by an order of magnitude but is also robust to and corrects errors in the LLM, successfully blending noisy internet-scale information from LLMs with knowledge grounded in environment dynamics.  ( 2 min )

Due to its simple installation and connectivity, the Internet of Things (IoT) is susceptible to malware attacks. Being able to operate autonomously. As IoT devices have become more prevalent, they have become the most tempting targets for malware. Weak, guessable, or hard-coded passwords, and a lack of security measures contribute to these vulnerabilities along with insecure network connections and outdated update procedures. To understand IoT malware, current methods and analysis ,using static methods, are ineffective. The field of deep learning has made great strides in recent years due to their tremendous data mining, learning, and expression capabilities, cybersecurity has enjoyed tremendous growth in recent years. As a result, malware analysts will not have to spend as much time analyzing malware. In this paper, we propose a novel detection and analysis method that harnesses the power and simplicity of decision trees. The experiments are conducted using a real word dataset, MaleVis which is a publicly available dataset. Based on the results, we show that our proposed approach outperforms existing state-of-the-art solutions in that it achieves 97.23% precision and 95.89% recall in terms of detection and classification. A specificity of 96.58%, F1-score of 96.40%, an accuracy of 96.43.  ( 2 min )

Pre-training methods on proteins are recently gaining interest, leveraging either protein sequences or structures, while modeling their joint energy landscape is largely unexplored. In this work, inspired by the success of denoising diffusion models, we propose the DiffPreT approach to pre-train a protein encoder by sequence-structure multimodal diffusion modeling. DiffPreT guides the encoder to recover the native protein sequences and structures from the perturbed ones along the multimodal diffusion trajectory, which acquires the joint distribution of sequences and structures. Considering the essential protein conformational variations, we enhance DiffPreT by a physics-inspired method called Siamese Diffusion Trajectory Prediction (SiamDiff) to capture the correlation between different conformers of a protein. SiamDiff attains this goal by maximizing the mutual information between representations of diffusion trajectories of structurally-correlated conformers. We study the effectiveness of DiffPreT and SiamDiff on both atom- and residue-level structure-based protein understanding tasks. Experimental results show that the performance of DiffPreT is consistently competitive on all tasks, and SiamDiff achieves new state-of-the-art performance, considering the mean ranks on all tasks. The source code will be released upon acceptance.  ( 2 min )

Early detection of many life-threatening diseases (e.g., prostate and breast cancer) within at-risk population can improve clinical outcomes and reduce cost of care. While numerous disease-specific "screening" tests that are closer to Point-of-Care (POC) are in use for this task, their low specificity results in unnecessary biopsies, leading to avoidable patient trauma and wasteful healthcare spending. On the other hand, despite the high accuracy of Magnetic Resonance (MR) imaging in disease diagnosis, it is not used as a POC disease identification tool because of poor accessibility. The root cause of poor accessibility of MR stems from the requirement to reconstruct high-fidelity images, as it necessitates a lengthy and complex process of acquiring large quantities of high-quality k-space measurements. In this study we explore the feasibility of an ML-augmented MR pipeline that directly infers the disease sidestepping the image reconstruction process. We hypothesise that the disease classification task can be solved using a very small tailored subset of k-space data, compared to image reconstruction. Towards that end, we propose a method that performs two tasks: 1) identifies a subset of the k-space that maximizes disease identification accuracy, and 2) infers the disease directly using the identified k-space subset, bypassing the image reconstruction step. We validate our hypothesis by measuring the performance of the proposed system across multiple diseases and anatomies. We show that comparable performance to image-based classifiers, trained on images reconstructed with full k-space data, can be achieved using small quantities of data: 8% of the data for detecting multiple abnormalities in prostate and brain scans, and 5% of the data for knee abnormalities. To better understand the proposed approach and instigate future research, we provide an extensive analysis and release code.  ( 2 min )

The reaction center consists of atoms in the product whose local properties are not identical to the corresponding atoms in the reactants. Prior studies on reaction center identification are mainly on semi-templated retrosynthesis methods. Moreover, they are limited to single reaction center identification. However, many reaction centers are comprised of multiple bonds or atoms in reality. We refer to it as the multiple reaction center. This paper presents RCsearcher, a unified framework for single and multiple reaction center identification that combines the advantages of the graph neural network and deep reinforcement learning. The critical insight in this framework is that the single or multiple reaction center must be a node-induced subgraph of the molecular product graph. At each step, it considers choosing one node in the molecular product graph and adding it to the explored node-induced subgraph as an action. Comprehensive experiments demonstrate that RCsearcher consistently outperforms other baselines and can extrapolate the reaction center patterns that have not appeared in the training set. Ablation experiments verify the effectiveness of individual components, including the beam search and one-hop constraint of action space.  ( 2 min )

While acute stress has been shown to have both positive and negative effects on performance, not much is known about the impacts of stress on students grades during examinations. To answer this question, we examined whether a correlation could be found between physiological stress signals and exam performance. We conducted this study using multiple physiological signals of ten undergraduate students over three different exams. The study focused on three signals, i.e., skin temperature, heart rate, and electrodermal activity. We extracted statistics as features and fed them into a variety of binary classifiers to predict relatively higher or lower grades. Experimental results showed up to 0.81 ROC-AUC with k-nearest neighbor algorithm among various machine learning algorithms.  ( 2 min )

Continual learning aims to avoid catastrophic forgetting and effectively leverage learned experiences to master new knowledge. Existing gradient projection approaches impose hard constraints on the optimization space for new tasks to minimize interference, which simultaneously hinders forward knowledge transfer. To address this issue, recent methods reuse frozen parameters with a growing network, resulting in high computational costs. Thus, it remains a challenge whether we can improve forward knowledge transfer for gradient projection approaches using a fixed network architecture. In this work, we propose the Restricted Orthogonal Gradient prOjection (ROGO) framework. The basic idea is to adopt a restricted orthogonal constraint allowing parameters optimized in the direction oblique to the whole frozen space to facilitate forward knowledge transfer while consolidating previous knowledge. Our framework requires neither data buffers nor extra parameters. Extensive experiments have demonstrated the superiority of our framework over several strong baselines. We also provide theoretical guarantees for our relaxing strategy.  ( 2 min )

Current protein language models (PLMs) learn protein representations mainly based on their sequences, thereby well capturing co-evolutionary information, but they are unable to explicitly acquire protein functions, which is the end goal of protein representation learning. Fortunately, for many proteins, their textual property descriptions are available, where their various functions are also described. Motivated by this fact, we first build the ProtDescribe dataset to augment protein sequences with text descriptions of their functions and other important properties. Based on this dataset, we propose the ProtST framework to enhance Protein Sequence pre-training and understanding by biomedical Texts. During pre-training, we design three types of tasks, i.e., unimodal mask prediction, multimodal representation alignment and multimodal mask prediction, to enhance a PLM with protein property information with different granularities and, at the same time, preserve the PLM's original representation power. On downstream tasks, ProtST enables both supervised learning and zero-shot prediction. We verify the superiority of ProtST-induced PLMs over previous ones on diverse representation learning benchmarks. Under the zero-shot setting, we show the effectiveness of ProtST on zero-shot protein classification, and ProtST also enables functional protein retrieval from a large-scale database without any function annotation.  ( 2 min )

To perform well, Deep Reinforcement Learning (DRL) methods require significant memory resources and computational time. Also, sometimes these systems need additional environment information to achieve a good reward. However, it is more important for many applications and devices to reduce memory usage and computational times than to achieve the maximum reward. This paper presents a modified DRL method that performs reasonably well with compressed imagery data without requiring additional environment information and also uses less memory and time. We have designed a lightweight Convolutional Neural Network (CNN) with a variant of the Q-network that efficiently takes preprocessed image data as input and uses less memory. Furthermore, we use a simple reward mechanism and small experience replay memory so as to provide only the minimum necessary information. Our modified DRL method enables our autonomous agent to play Snake, a classical control game. The results show our model can achieve similar performance as other DRL methods.  ( 2 min )

Recent ODE/SDE-based generative models, such as diffusion models and flow matching, define a generative process as a time reversal of a fixed forward process. Even though these models show impressive performance on large-scale datasets, numerical simulation requires multiple evaluations of a neural network, leading to a slow sampling speed. We attribute the reason to the high curvature of the learned generative trajectories, as it is directly related to the truncation error of a numerical solver. Based on the relationship between the forward process and the curvature, here we present an efficient method of training the forward process to minimize the curvature of generative trajectories without any ODE/SDE simulation. Experiments show that our method achieves a lower curvature than previous models and, therefore, decreased sampling costs while maintaining competitive performance. Code is available at https://github.com/sangyun884/fast-ode.  ( 2 min )

Differential equations are used to model and predict the behaviour of complex systems in a wide range of fields, and the ability to solve them is an important asset for understanding and predicting the behaviour of these systems. Complicated physics mostly involves difficult differential equations, which are hard to solve analytically. In recent years, physics-informed neural networks have been shown to perform very well in solving systems with various differential equations. The main ways to approximate differential equations are through penalty function and reparameterization. Most researchers use penalty functions rather than reparameterization due to the complexity of implementing reparameterization. In this study, we quantitatively compare physics-informed neural network models with and without reparameterization using the approximation error. The performance of reparameterization is demonstrated based on two benchmark mechanical engineering problems, a one-dimensional bar problem and a two-dimensional bending beam problem. Our results show that when dealing with complex differential equations, applying reparameterization results in a lower approximation error.  ( 2 min )

This paper introduces a computational framework to reconstruct and forecast a partially observed state that evolves according to an unknown or expensive-to-simulate dynamical system. Our reduced-order autodifferentiable ensemble Kalman filters (ROAD-EnKFs) learn a latent low-dimensional surrogate model for the dynamics and a decoder that maps from the latent space to the state space. The learned dynamics and decoder are then used within an ensemble Kalman filter to reconstruct and forecast the state. Numerical experiments show that if the state dynamics exhibit a hidden low-dimensional structure, ROAD-EnKFs achieve higher accuracy at lower computational cost compared to existing methods. If such structure is not expressed in the latent state dynamics, ROAD-EnKFs achieve similar accuracy at lower cost, making them a promising approach for surrogate state reconstruction and forecasting.  ( 2 min )

A temporal point process (TPP) is a stochastic process where its realization is a sequence of discrete events in time. Recent work in TPPs model the process using a neural network in a supervised learning framework, where a training set is a collection of all the sequences. In this work, we propose to train TPPs in a meta learning framework, where each sequence is treated as a different task, via a novel framing of TPPs as neural processes (NPs). We introduce context sets to model TPPs as an instantiation of NPs. Motivated by attentive NP, we also introduce local history matching to help learn more informative features. We demonstrate the potential of the proposed method on popular public benchmark datasets and tasks, and compare with state-of-the-art TPP methods.  ( 2 min )

Model-based methods have recently shown great potential for off-policy evaluation (OPE); offline trajectories induced by behavioral policies are fitted to transitions of Markov decision processes (MDPs), which are used to rollout simulated trajectories and estimate the performance of policies. Model-based OPE methods face two key challenges. First, as offline trajectories are usually fixed, they tend to cover limited state and action space. Second, the performance of model-based methods can be sensitive to the initialization of their parameters. In this work, we propose the variational latent branching model (VLBM) to learn the transition function of MDPs by formulating the environmental dynamics as a compact latent space, from which the next states and rewards are then sampled. Specifically, VLBM leverages and extends the variational inference framework with the recurrent state alignment (RSA), which is designed to capture as much information underlying the limited training data, by smoothing out the information flow between the variational (encoding) and generative (decoding) part of VLBM. Moreover, we also introduce the branching architecture to improve the model's robustness against randomly initialized model weights. The effectiveness of the VLBM is evaluated on the deep OPE (DOPE) benchmark, from which the training trajectories are designed to result in varied coverage of the state-action space. We show that the VLBM outperforms existing state-of-the-art OPE methods in general.  ( 2 min )

Recent success of large-scale Contrastive Language-Image Pre-training (CLIP) has led to great promise in zero-shot semantic segmentation by transferring image-text aligned knowledge to pixel-level classification. However, existing methods usually require an additional image encoder or retraining/tuning the CLIP module. Here, we present a cost-effective strategy using text-prompt learning that keeps the entire CLIP module frozen while fully leveraging its rich information. Specifically, we propose a novel Zero-shot segmentation with Optimal Transport (ZegOT) method that matches multiple text prompts with frozen image embeddings through optimal transport, which allows each text prompt to efficiently focus on specific semantic attributes. Additionally, we propose Deep Local Feature Alignment (DLFA) that deeply aligns the text prompts with intermediate local feature of the frozen image encoder layers, which significantly boosts the zero-shot segmentation performance. Through extensive experiments on benchmark datasets, we show that our method achieves the state-of-the-art (SOTA) performance with only x7 lighter parameters compared to previous SOTA approaches.  ( 2 min )

The integration of constrained optimization models as components in deep networks has led to promising advances in both these domains. A primary challenge in this setting is backpropagation through the optimization mapping, which typically lacks a closed form. A common approach is unrolling, which relies on automatic differentiation through the operations of an iterative solver. While flexible and general, unrolling can encounter accuracy and efficiency issues in practice. These issues can be avoided by differentiating the optimization mapping analytically, but current frameworks impose rigid requirements on the optimization problem's form. This paper provides theoretical insights into the backpropagation of unrolled optimizers, which lead to a system for generating equivalent but efficiently solvable analytical models. Additionally, it proposes a unifying view of unrolling and analytical differentiation through constrained optimization mappings. Experiments over various structured prediction and decision-focused learning tasks illustrate the potential of the approach both computationally and in terms of enhanced expressiveness.  ( 2 min )

Understanding the loss of information in spectral analytics is a crucial first step towards finding root causes for failures and uncertainties using spectral data in artificial intelligence models built from modern complex data science applications. Here, we show from a very simple entropy model analysis with quantum statistics of spectral data, that the relative loss of information from dimensionality reduction due to projection of an initial five-dimensional state onto two-dimensional diagrams is less than one percent in the parameter range of small data sets with sample sizes on the order of few hundreds data samples. From our analysis, we also conclude that the density and expectation value of the entropy probability distribution increases with the sample number and sample size using artificial data models derived from random sampling Monte-Carlo simulation methods.  ( 2 min )

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with proper position embedding, GT can approximate MPNN arbitrarily well, implying that GT is at least as powerful as MPNN. In this paper, we study the inverse connection and show that MPNN with virtual node (VN), a commonly used heuristic with little theoretical understanding, is powerful enough to arbitrarily approximate the self-attention layer of GT. In particular, we first show that if we consider one type of linear transformer, the so-called Performer/Linear Transformer (Choromanski et al., 2020; Katharopoulos et al., 2020), then MPNN + VN with only O(1) depth and O(1) width can approximate a self-attention layer in Performer/Linear Transformer. Next, via a connection between MPNN + VN and DeepSets, we prove the MPNN + VN with O(n^d) width and O(1) depth can approximate the self-attention layer arbitrarily well, where d is the input feature dimension. Lastly, under some assumptions, we provide an explicit construction of MPNN + VN with O(1) width and O(n) depth approximating the self-attention layer in GT arbitrarily well. On the empirical side, we demonstrate that 1) MPNN + VN is a surprisingly strong baseline, outperforming GT on the recently proposed Long Range Graph Benchmark (LRGB) dataset, 2) our MPNN + VN improves over early implementation on a wide range of OGB datasets and 3) MPNN + VN outperforms Linear Transformer and MPNN on the climate modeling task.  ( 2 min )

Diagnosing and cleaning datasets are crucial for building robust machine learning systems. However, identifying problems within large-scale datasets with real-world distributions is difficult due to the presence of complex issues, such as label errors or under-representation of certain types. In this paper, we propose a novel approach for identifying problematic data by utilizing a largely ignored source of information: a relational structure of data in the feature-embedded space. We develop an efficient algorithm for detecting label errors and outlier data points based on the relational graph structure of the dataset. We further introduce a visualization tool for contextualizing data points, which can serve as an effective tool for interactively diagnosing datasets. We evaluate label error and out-of-distribution detection performances on large-scale image and language domain tasks, including ImageNet and GLUE benchmarks, and demonstrate the effectiveness of our approach for debugging datasets and building robust machine learning systems.  ( 2 min )

We present a new technique for the accelerated training of physics-informed neural networks (PINNs): discretely-trained PINNs (DT-PINNs). The repeated computation of partial derivative terms in the PINN loss functions via automatic differentiation during training is known to be computationally expensive, especially for higher-order derivatives. DT-PINNs are trained by replacing these exact spatial derivatives with high-order accurate numerical discretizations computed using meshless radial basis function-finite differences (RBF-FD) and applied via sparse-matrix vector multiplication. The use of RBF-FD allows for DT-PINNs to be trained even on point cloud samples placed on irregular domain geometries. Additionally, though traditional PINNs (vanilla-PINNs) are typically stored and trained in 32-bit floating-point (fp32) on the GPU, we show that for DT-PINNs, using fp64 on the GPU leads to significantly faster training times than fp32 vanilla-PINNs with comparable accuracy. We demonstrate the efficiency and accuracy of DT-PINNs via a series of experiments. First, we explore the effect of network depth on both numerical and automatic differentiation of a neural network with random weights and show that RBF-FD approximations of third-order accuracy and above are more efficient while being sufficiently accurate. We then compare the DT-PINNs to vanilla-PINNs on both linear and nonlinear Poisson equations and show that DT-PINNs achieve similar losses with 2-4x faster training times on a consumer GPU. Finally, we also demonstrate that similar results can be obtained for the PINN solution to the heat equation (a space-time problem) by discretizing the spatial derivatives using RBF-FD and using automatic differentiation for the temporal derivative. Our results show that fp64 DT-PINNs offer a superior cost-accuracy profile to fp32 vanilla-PINNs.  ( 3 min )

Many variants of the Wasserstein distance have been introduced to reduce its original computational burden. In particular the Sliced-Wasserstein distance (SW), which leverages one-dimensional projections for which a closed-form solution of the Wasserstein distance is available, has received a lot of interest. Yet, it is restricted to data living in Euclidean spaces, while the Wasserstein distance has been studied and used recently on manifolds. We focus more specifically on the sphere, for which we define a novel SW discrepancy, which we call spherical Sliced-Wasserstein, making a first step towards defining SW discrepancies on manifolds. Our construction is notably based on closed-form solutions of the Wasserstein distance on the circle, together with a new spherical Radon transform. Along with efficient algorithms and the corresponding implementations, we illustrate its properties in several machine learning use cases where spherical representations of data are at stake: sampling on the sphere, density estimation on real earth data or hyperspherical auto-encoders.  ( 2 min )

Prior work has provided strong evidence that, within organizational settings, teams that bring a diversity of information and perspectives to a task are more effective than teams that do not. If this form of informational diversity confers performance advantages, why do we often see largely homogeneous teams in practice? One canonical argument is that the benefits of informational diversity are in tension with affinity bias. To better understand the impact of this tension on the makeup of teams, we analyze a sequential model of team formation in which individuals care about their team's performance (captured in terms of accurately predicting some future outcome based on a set of features) but experience a cost as a result of interacting with teammates who use different approaches to the prediction task. Our analysis of this simple model reveals a set of subtle behaviors that team-growth dynamics can exhibit: (i) from certain initial team compositions, they can make progress toward better performance but then get stuck partway to optimally diverse teams; while (ii) from other initial compositions, they can also move away from this optimal balance as the majority group tries to crowd out the opinions of the minority. The initial composition of the team can determine whether the dynamics will move toward or away from performance optimality, painting a path-dependent picture of inefficiencies in team compositions. Our results formalize a fundamental limitation of utility-based motivations to drive informational diversity in organizations and hint at interventions that may improve informational diversity and performance simultaneously.  ( 2 min )

We consider the stochastic linear contextual bandit problem with high-dimensional features. We analyze the Thompson sampling algorithm using special classes of sparsity-inducing priors (e.g., spike-and-slab) to model the unknown parameter and provide a nearly optimal upper bound on the expected cumulative regret. To the best of our knowledge, this is the first work that provides theoretical guarantees of Thompson sampling in high-dimensional and sparse contextual bandits. For faster computation, we use variational inference instead of Markov Chain Monte Carlo (MCMC) to approximate the posterior distribution. Extensive simulations demonstrate the improved performance of our proposed algorithm over existing ones.  ( 2 min )

Correctly identifying the type of file under examination is a critical part of a forensic investigation. The file type alone suggests the embedded content, such as a picture, video, manuscript, spreadsheet, etc. In cases where a system owner might desire to keep their files inaccessible or file type concealed, we propose using an adversarially-trained machine learning neural network to determine a file's true type even if the extension or file header is obfuscated to complicate its discovery. Our semi-supervised generative adversarial network (SGAN) achieved 97.6% accuracy in classifying files across 11 different types. We also compared our network against a traditional standalone neural network and three other machine learning algorithms. The adversarially-trained network proved to be the most precise file classifier especially in scenarios with few supervised samples available. Our implementation of a file classifier using an SGAN is implemented on GitHub (https://ksaintg.github.io/SGAN-File-Classier).  ( 2 min )

Accurate detection of brain tumors could save lots of lives and increasing the accuracy of this binary classification even as much as a few percent has high importance. Neural Gas Networks (NGN) is a fast, unsupervised algorithm that could be used in data clustering, image pattern recognition, and image segmentation. In this research, we used the metaheuristic Firefly Algorithm (FA) for image contrast enhancement as pre-processing and NGN weights for feature extraction and segmentation of Magnetic Resonance Imaging (MRI) data on two brain tumor datasets from the Kaggle platform. Also, tumor classification is conducted by Support Vector Machine (SVM) classification algorithms and compared with a deep learning technique plus other features in train and test phases. Additionally, NGN tumor segmentation is evaluated by famous performance metrics such as Accuracy, F-measure, Jaccard, and more versus ground truth data and compared with traditional segmentation techniques. The proposed method is fast and precise in both tasks of tumor classification and segmentation compared with other methods. A classification accuracy of 95.14 % and segmentation accuracy of 0.977 is achieved by the proposed method.  ( 2 min )

The symbolic music modality is nowadays mostly represented as discrete and used with sequential models such as Transformers, for deep learning tasks. Recent research put efforts on the tokenization, i.e. the conversion of data into sequences of integers intelligible to such models. This can be achieved by many ways as music can be composed of simultaneous tracks, of simultaneous notes with several attributes. Until now, the proposed tokenizations are based on small vocabularies describing the note attributes and time events, resulting in fairly long token sequences. In this paper, we show how Byte Pair Encoding (BPE) can improve the results of deep learning models while improving its performances. We experiment on music generation and composer classification, and study the impact of BPE on how models learn the embeddings, and show that it can help to increase their isotropy, i.e., the uniformity of the variance of their positions in the space.  ( 2 min )

This article introduces a method of evaluating subsamples until any prescribed level of classification accuracy is attained, thus obtaining arbitrary accuracy. A logarithmic reduction in error rate is obtained with a linear increase in sample count. The technique is applied to specific emitter identification on a published dataset of physically recorded over-the-air signals from 16 ostensibly identical high-performance radios. The technique uses a multi-channel deep learning convolutional neural network acting on the bispectra of I/Q signal subsamples each consisting of 56 parts per million (ppm) of the original signal duration. High levels of accuracy are obtained with minimal computation time: in this application, each addition of eight samples decreases error by one order of magnitude.  ( 2 min )

We propose a novel, fully nonparametric approach for the multi-task learning, the Multi-task Highly Adaptive Lasso (MT-HAL). MT-HAL simultaneously learns features, samples and task associations important for the common model, while imposing a shared sparse structure among similar tasks. Given multiple tasks, our approach automatically finds a sparse sharing structure. The proposed MTL algorithm attains a powerful dimension-free convergence rate of $o_p(n^{-1/4})$ or better. We show that MT-HAL outperforms sparsity-based MTL competitors across a wide range of simulation studies, including settings with nonlinear and linear relationships, varying levels of sparsity and task correlations, and different numbers of covariates and sample size.  ( 2 min )

The Computer-aided Diagnosis or Detection (CAD) approach for skin lesion analysis is an emerging field of research that has the potential to alleviate the burden and cost of skin cancer screening. Researchers have recently indicated increasing interest in developing such CAD systems, with the intention of providing a user-friendly tool to dermatologists to reduce the challenges encountered or associated with manual inspection. This article aims to provide a comprehensive literature survey and review of a total of 594 publications (356 for skin lesion segmentation and 238 for skin lesion classification) published between 2011 and 2022. These articles are analyzed and summarized in a number of different ways to contribute vital information regarding the methods for the development of CAD systems. These ways include relevant and essential definitions and theories, input data (dataset utilization, preprocessing, augmentations, and fixing imbalance problems), method configuration (techniques, architectures, module frameworks, and losses), training tactics (hyperparameter settings), and evaluation criteria. We intend to investigate a variety of performance-enhancing approaches, including ensemble and post-processing. We also discuss these dimensions to reveal their current trends based on utilization frequencies. In addition, we highlight the primary difficulties associated with evaluating skin lesion segmentation and classification systems using minimal datasets, as well as the potential solutions to these difficulties. Findings, recommendations, and trends are disclosed to inform future research on developing an automated and robust CAD system for skin lesion analysis.  ( 2 min )

Decentralized learning over distributed datasets can have significantly different data distributions across the agents. The current state-of-the-art decentralized algorithms mostly assume the data distributions to be Independent and Identically Distributed. This paper focuses on improving decentralized learning over non-IID data. We propose \textit{Neighborhood Gradient Clustering (NGC)}, a novel decentralized learning algorithm that modifies the local gradients of each agent using self- and cross-gradient information. Cross-gradients for a pair of neighboring agents are the derivatives of the model parameters of an agent with respect to the dataset of the other agent. In particular, the proposed method replaces the local gradients of the model with the weighted mean of the self-gradients, model-variant cross-gradients (derivatives of the neighbors' parameters with respect to the local dataset), and data-variant cross-gradients (derivatives of the local model with respect to its neighbors' datasets). The data-variant cross-gradients are aggregated through an additional communication round without breaking the privacy constraints. Further, we present \textit{CompNGC}, a compressed version of \textit{NGC} that reduces the communication overhead by $32 \times$. We theoretically analyze the convergence rate of the proposed algorithm and demonstrate its efficiency over non-IID data sampled from {various vision and language} datasets trained. Our experiments demonstrate that \textit{NGC} and \textit{CompNGC} outperform (by $0-6\%$) the existing SoTA decentralized learning algorithm over non-IID data with significantly less compute and memory requirements. Further, our experiments show that the model-variant cross-gradient information available locally at each agent can improve the performance over non-IID data by $1-35\%$ without additional communication cost.  ( 3 min )

Iterative methods are ubiquitous in large-scale scientific computing applications, and a number of approaches based on meta-learning have been recently proposed to accelerate them. However, a systematic study of these approaches and how they differ from meta-learning is lacking. In this paper, we propose a framework to analyze such learning-based acceleration approaches, where one can immediately identify a departure from classical meta-learning. We show that this departure may lead to arbitrary deterioration of model performance. Based on our analysis, we introduce a novel training method for learning-based acceleration of iterative methods. Furthermore, we theoretically prove that the proposed method improves upon the existing methods, and demonstrate its significant advantage and versatility through various numerical applications.  ( 2 min )

Ridgelet transform has been a fundamental mathematical tool in the theoretical studies of neural networks. However, the practical applicability of ridgelet transform to conducting learning tasks was limited since its numerical implementation by conventional classical computation requires an exponential runtime $\exp(O(D))$ as data dimension $D$ increases. To address this problem, we develop a quantum ridgelet transform (QRT), which implements the ridgelet transform of a quantum state within a linear runtime $O(D)$ of quantum computation. As an application, we also show that one can use QRT as a fundamental subroutine for quantum machine learning (QML) to efficiently find a sparse trainable subnetwork of large shallow wide neural networks without conducting large-scale optimization of the original network. This application discovers an efficient way in this regime to demonstrate the lottery ticket hypothesis on finding such a sparse trainable neural network. These results open an avenue of QML for accelerating learning tasks with commonly used classical neural networks.  ( 2 min )

Despite the popularity and efficacy of knowledge distillation, there is limited understanding of why it helps. In order to study the generalization behavior of a distilled student, we propose a new theoretical framework that leverages supervision complexity: a measure of alignment between teacher-provided supervision and the student's neural tangent kernel. The framework highlights a delicate interplay among the teacher's accuracy, the student's margin with respect to the teacher predictions, and the complexity of the teacher predictions. Specifically, it provides a rigorous justification for the utility of various techniques that are prevalent in the context of distillation, such as early stopping and temperature scaling. Our analysis further suggests the use of online distillation, where a student receives increasingly more complex supervision from teachers in different stages of their training. We demonstrate efficacy of online distillation and validate the theoretical findings on a range of image classification benchmarks and model architectures.  ( 2 min )

Diffusion-weighted magnetic resonance imaging is sensitive to the microstructural properties of brain tissue. However, estimating clinically and scientifically relevant microstructural properties from the measured signals remains a highly challenging inverse problem that deep learning may help solve. This study investigated if recently developed orientationally invariant spherical convolutional neural networks can improve microstructural parameter estimation. A spherical convolutional neural network was trained to predict the ground-truth parameter values from simulated noisy data and applied to imaging data acquired in a clinical setting to generate microstructural parameter maps. The spherical convolutional neural network was more accurate and less orientationally variant than the benchmark methods (multi-layer perceptrons and the spherical mean technique). Our results show that spherical convolutional neural networks can be a compelling alternative to predicting parameters from powder-averaged data (i.e., data averaged over the acquired diffusion encoding directions). While we focused on constrained two- and three-compartment models of neuronal tissue, the presented network and training pipeline are generalizable and can be used to estimate the parameters of other Gaussian compartment models.  ( 2 min )

Graph neural networks (GNNs) have been widely used under semi-supervised settings. Prior studies have mainly focused on finding appropriate graph filters (e.g., aggregation schemes) to generalize well for both homophilic and heterophilic graphs. Even though these approaches are essential and effective, they still suffer from the sparsity in initial node features inherent in the bag-of-words representation. Common in semi-supervised learning where the training samples often fail to cover the entire dimensions of graph filters (hyperplanes), this can precipitate over-fitting of specific dimensions in the first projection matrix. To deal with this problem, we suggest a simple and novel strategy; create additional space by flipping the initial features and hyperplane simultaneously. Training in both the original and in the flip space can provide precise updates of learnable parameters. To the best of our knowledge, this is the first attempt that effectively moderates the overfitting problem in GNN. Extensive experiments on real-world datasets demonstrate that the proposed technique improves the node classification accuracy up to 40.2 %  ( 2 min )

Near-term quantum computers provide a promising platform for finding ground states of quantum systems, which is an essential task in physics, chemistry, and materials science. Near-term approaches, however, are constrained by the effects of noise as well as the limited resources of near-term quantum hardware. We introduce "neural error mitigation," which uses neural networks to improve estimates of ground states and ground-state observables obtained using near-term quantum simulations. To demonstrate our method's broad applicability, we employ neural error mitigation to find the ground states of the H$_2$ and LiH molecular Hamiltonians, as well as the lattice Schwinger model, prepared via the variational quantum eigensolver (VQE). Our results show that neural error mitigation improves numerical and experimental VQE computations to yield low energy errors, high fidelities, and accurate estimations of more-complex observables like order parameters and entanglement entropy, without requiring additional quantum resources. Furthermore, neural error mitigation is agnostic with respect to the quantum state preparation algorithm used, the quantum hardware it is implemented on, and the particular noise channel affecting the experiment, contributing to its versatility as a tool for quantum simulation.  ( 2 min )

This paper introduces a new simulation-based inference procedure to model and sample from multi-dimensional probability distributions given access to i.i.d.\ samples, circumventing the usual approaches of explicitly modeling the density function or designing Markov chain Monte Carlo. Motivated by the seminal work on distance and isomorphism between metric measure spaces, we propose a new notion called the Reversible Gromov-Monge (RGM) distance and study how RGM can be used to design new transform samplers to perform simulation-based inference. Our RGM sampler can also estimate optimal alignments between two heterogeneous metric measure spaces $(\cX, \mu, c_{\cX})$ and $(\cY, \nu, c_{\cY})$ from empirical data sets, with estimated maps that approximately push forward one measure $\mu$ to the other $\nu$, and vice versa. We study the analytic properties of the RGM distance and derive that under mild conditions, RGM equals the classic Gromov-Wasserstein distance. Curiously, drawing a connection to Brenier's polar factorization, we show that the RGM sampler induces bias towards strong isomorphism with proper choices of $c_{\cX}$ and $c_{\cY}$. Statistical rate of convergence, representation, and optimization questions regarding the induced sampler are studied. Synthetic and real-world examples showcasing the effectiveness of the RGM sampler are also demonstrated.  ( 2 min )

Brain Computer Interface (BCI) technologies have the potential to improve the lives of millions of people around the world, whether through assistive technologies or clinical diagnostic tools. Despite advancements in the field, however, at present consumer and clinical viability remains low. A key reason for this is that many of the existing BCI deployments require substantial data collection per end-user, which can be cumbersome, tedious, and error-prone to collect. We address this challenge via a deep learning model, which, when trained across sufficient data from multiple subjects, offers reasonable performance out-of-the-box, and can be customized to novel subjects via a transfer learning process. We demonstrate the fundamental viability of our approach by repurposing an older but well-curated electroencephalography (EEG) dataset and benchmarking against several common approaches/techniques. We then partition this dataset into a transfer learning benchmark and demonstrate that our approach significantly reduces data collection burden per-subject. This suggests that our model and methodology may yield improvements to BCI technologies and enhance their consumer/clinical viability.  ( 2 min )

Noisy partial label learning (noisy PLL) is an important branch of weakly supervised learning. Unlike PLL where the ground-truth label must reside in the candidate set, noisy PLL relaxes this constraint and allows the ground-truth label may not be in the candidate set. To address this problem, existing works attempt to detect noisy samples and estimate the ground-truth label for each noisy sample. However, detection errors are inevitable, and these errors will accumulate during training and continuously affect model optimization. To address this challenge, we propose a novel framework for noisy PLL, called ``Dynamically Adjusted Label Importance (DALI)''. It aims to reduce the negative impact of detection errors by trading off the initial candidate set and model outputs with theoretical guarantees. Experimental results on multiple datasets demonstrate that our DALI succeeds over existing state-of-the-art approaches on noisy PLL. Our code will soon be publicly available.  ( 2 min )

Most existing methods to detect backdoored machine learning (ML) models take one of the two approaches: trigger inversion (aka. reverse engineer) and weight analysis (aka. model diagnosis). In particular, the gradient-based trigger inversion is considered to be among the most effective backdoor detection techniques, as evidenced by the TrojAI competition, Trojan Detection Challenge and backdoorBench. However, little has been done to understand why this technique works so well and, more importantly, whether it raises the bar to the backdoor attack. In this paper, we report the first attempt to answer this question by analyzing the change rate of the backdoored model around its trigger-carrying inputs. Our study shows that existing attacks tend to inject the backdoor characterized by a low change rate around trigger-carrying inputs, which are easy to capture by gradient-based trigger inversion. In the meantime, we found that the low change rate is not necessary for a backdoor attack to succeed: we design a new attack enhancement called \textit{Gradient Shaping} (GRASP), which follows the opposite direction of adversarial training to reduce the change rate of a backdoored model with regard to the trigger, without undermining its backdoor effect. Also, we provide a theoretic analysis to explain the effectiveness of this new technique and the fundamental weakness of gradient-based trigger inversion. Finally, we perform both theoretical and experimental analysis, showing that the GRASP enhancement does not reduce the effectiveness of the stealthy attacks against the backdoor detection methods based on weight analysis, as well as other backdoor mitigation methods without using detection.  ( 2 min )

Self-supervised learning (SSL) aims to learn intrinsic features without labels. Despite the diverse architectures of SSL methods, the projection head always plays an important role in improving the performance of the downstream task. In this work, we systematically investigate the role of the projection head in SSL. Specifically, the projection head targets the uniformity part of SSL, which pushes the dissimilar samples away from each other, thus enabling the encoder to focus on extracting semantic features. Based on this understanding, we propose a Representation Evaluation Design (RED) in SSL models in which a shortcut connection between the representation and the projection vectors is built. Extensive experiments with different architectures, including SimCLR, MoCo-V2, and SimSiam, on various datasets, demonstrate that the representation evaluation design can consistently improve the baseline models in the downstream tasks. The learned representation from the RED-SSL models shows superior robustness to unseen augmentations and out-of-distribution data.  ( 2 min )

Learning-based control approaches have shown great promise in performing complex tasks directly from high-dimensional perception data for real robotic systems. Nonetheless, the learned controllers can behave unexpectedly if the trajectories of the system divert from the training data distribution, which can compromise safety. In this work, we propose a control filter that wraps any reference policy and effectively encourages the system to stay in-distribution with respect to offline-collected safe demonstrations. Our methodology is inspired by Control Barrier Functions (CBFs), which are model-based tools from the nonlinear control literature that can be used to construct minimally invasive safe policy filters. While existing methods based on CBFs require a known low-dimensional state representation, our proposed approach is directly applicable to systems that rely solely on high-dimensional visual observations by learning in a latent state-space. We demonstrate that our method is effective for two different visuomotor control tasks in simulation environments, including both top-down and egocentric view settings.  ( 2 min )

Learning models that are robust to test-time distribution shifts is a key concern in domain generalization, and in the wider context of their real-life applicability. Invariant Risk Minimization (IRM) is one particular framework that aims to learn deep invariant features from multiple domains and has subsequently led to further variants. A key assumption for the success of these methods requires that the underlying causal mechanisms/features remain invariant across domains and the true invariant features be sufficient to learn the optimal predictor. In practical problem settings, these assumptions are often not satisfied, which leads to IRM learning a sub-optimal predictor for that task. In this work, we propose the notion of partial invariance as a relaxation of the IRM framework. Under our problem setting, we first highlight the sub-optimality of the IRM solution. We then demonstrate how partitioning the training domains, assuming access to some meta-information about the domains, can help improve the performance of invariant models via partial invariance. Finally, we conduct several experiments, both in linear settings as well as with classification tasks in language and images with deep models, which verify our conclusions.  ( 2 min )

Many existing reinforcement learning (RL) methods employ stochastic gradient iteration on the back end, whose stability hinges upon a hypothesis that the data-generating process mixes exponentially fast with a rate parameter that appears in the step-size selection. Unfortunately, this assumption is violated for large state spaces or settings with sparse rewards, and the mixing time is unknown, making the step size inoperable. In this work, we propose an RL methodology attuned to the mixing time by employing a multi-level Monte Carlo estimator for the critic, the actor, and the average reward embedded within an actor-critic (AC) algorithm. This method, which we call \textbf{M}ulti-level \textbf{A}ctor-\textbf{C}ritic (MAC), is developed especially for infinite-horizon average-reward settings and neither relies on oracle knowledge of the mixing time in its parameter selection nor assumes its exponential decay; it, therefore, is readily applicable to applications with slower mixing times. Nonetheless, it achieves a convergence rate comparable to the state-of-the-art AC algorithms. We experimentally show that these alleviated restrictions on the technical conditions required for stability translate to superior performance in practice for RL problems with sparse rewards.  ( 2 min )

Aerosol-cloud interactions (ACI) include various effects that result from aerosols entering a cloud, and affecting cloud properties. In general, an increase in aerosol concentration results in smaller droplet sizes which leads to larger, brighter, longer-lasting clouds that reflect more sunlight and cool the Earth. The strength of the effect is however heterogeneous, meaning it depends on the surrounding environment, making ACI one of the most uncertain effects in our current climate models. In our work, we use causal machine learning to estimate ACI from satellite observations by reframing the problem as a treatment (aerosol) and outcome (change in droplet radius). We predict the causal effect of aerosol on clouds with uncertainty bounds depending on the unknown factors that may be influencing the impact of aerosol. Of the three climate models evaluated, we find that only one plausibly recreates the trend, lending more credence to its estimate cooling due to ACI.  ( 2 min )

Statistical whitening transformations play a fundamental role in many computational systems, and may also play an important role in biological sensory systems. Individual neurons appear to rapidly and reversibly alter their input-output gains, approximately normalizing the variance of their responses. Populations of neurons appear to regulate their joint responses, reducing correlations between neural activities. It is natural to see whitening as the objective that guides these behaviors, but the mechanism for such joint changes is unknown, and direct adjustment of synaptic interactions would seem to be both too slow, and insufficiently reversible. Motivated by the extensive neuroscience literature on rapid gain modulation, we propose a recurrent network architecture in which joint whitening is achieved through modulation of gains within the circuit. Specifically, we derive an online statistical whitening algorithm that regulates the joint second-order statistics of a multi-dimensional input by adjusting the marginal variances of an overcomplete set of interneuron projections. The gains of these interneurons are adjusted individually, using only local signals, and feed back onto the primary neurons. The network converges to a state in which the responses of the primary neurons are whitened. We demonstrate through simulations that the behavior of the network is robust to poor conditioning or noise when the gains are sign-constrained, and can be generalized to achieve a form of local whitening in convolutional populations, such as those found throughout the visual or auditory system.  ( 2 min )

This work describes in detail how to learn and solve the Rubik's cube game (or puzzle) in the General Board Game (GBG) learning and playing framework. We cover the cube sizes 2x2x2 and 3x3x3. We describe in detail the cube's state representation, how to transform it with twists, whole-cube rotations and color transformations and explain the use of symmetries in Rubik's cube. Next, we discuss different n-tuple representations for the cube, how we train the agents by reinforcement learning and how we improve the trained agents during evaluation by MCTS wrapping. We present results for agents that learn Rubik's cube from scratch, with and without MCTS wrapping, with and without symmetries and show that both, MCTS wrapping and symmetries, increase computational costs, but lead at the same time to much better results. We can solve the 2x2x2 cube completely, and the 3x3x3 cube in the majority of the cases for scrambled cubes up to p = 15 (QTM). We cannot yet reliably solve 3x3x3 cubes with more than 15 scrambling twists. Although our computational costs are higher with MCTS wrapping and with symmetries than without, they are still considerably lower than in the approaches of McAleer et al. (2018, 2019) and Agostinelli et al. (2019) who provide the best Rubik's cube learning agents so far.  ( 2 min )

In recent years, there have been significant advances in the use of deep learning methods in inverse problems such as denoising, compressive sensing, inpainting, and super-resolution. While this line of works has predominantly been driven by practical algorithms and experiments, it has also given rise to a variety of intriguing theoretical problems. In this paper, we survey some of the prominent theoretical developments in this line of works, focusing in particular on generative priors, untrained neural network priors, and unfolding algorithms. In addition to summarizing existing results in these topics, we highlight several ongoing challenges and open problems.  ( 2 min )

Dynamic treatment rules or policies are a sequence of decision functions over multiple stages that are tailored to individual features. One important class of treatment policies for practice, namely multi-stage stationary treatment policies, prescribe treatment assignment probabilities using the same decision function over stages, where the decision is based on the same set of features consisting of both baseline variables (e.g., demographics) and time-evolving variables (e.g., routinely collected disease biomarkers). Although there has been extensive literature to construct valid inference for the value function associated with the dynamic treatment policies, little work has been done for the policies themselves, especially in the presence of high dimensional feature variables. We aim to fill in the gap in this work. Specifically, we first estimate the multistage stationary treatment policy based on an augmented inverse probability weighted estimator for the value function to increase the asymptotic efficiency, and further apply a penalty to select important feature variables. We then construct one-step improvement of the policy parameter estimators. Theoretically, we show that the improved estimators are asymptotically normal, even if nuisance parameters are estimated at a slow convergence rate and the dimension of the feature variables increases exponentially with the sample size. Our numerical studies demonstrate that the proposed method has satisfactory performance in small samples, and that the performance can be improved with a choice of the augmentation term that approximates the rewards or minimizes the variance of the value function.  ( 2 min )

Optimal control of diffusion processes is intimately connected to the problem of solving certain Hamilton-Jacobi-Bellman equations. Building on recent machine learning inspired approaches towards high-dimensional PDEs, we investigate the potential of $\textit{iterative diffusion optimisation}$ techniques, in particular considering applications in importance sampling and rare event simulation, and focusing on problems without diffusion control, with linearly controlled drift and running costs that depend quadratically on the control. More generally, our methods apply to nonlinear parabolic PDEs with a certain shift invariance. The choice of an appropriate loss function being a central element in the algorithmic design, we develop a principled framework based on divergences between path measures, encompassing various existing methods. Motivated by connections to forward-backward SDEs, we propose and study the novel $\textit{log-variance}$ divergence, showing favourable properties of corresponding Monte Carlo estimators. The promise of the developed approach is exemplified by a range of high-dimensional and metastable numerical examples.  ( 2 min )

Distributed stochastic optimization has drawn great attention recently due to its effectiveness in solving large-scale machine learning problems. However, despite that numerous algorithms have been proposed with empirical successes, their theoretical guarantees are restrictive and rely on certain boundedness conditions on the stochastic gradients, varying from uniform boundedness to the relaxed growth condition. In addition, how to characterize the data heterogeneity among the agents and its impacts on the algorithmic performance remains challenging. In light of such motivations, we revisit the classical FedAvg algorithm for solving the distributed stochastic optimization problem and establish the convergence results under only a mild variance condition on the stochastic gradients for smooth nonconvex objective functions. Almost sure convergence to a stationary point is also established under the condition. Moreover, we discuss a more informative measurement for data heterogeneity as well as its implications.  ( 2 min )

Stochastic linear contextual bandit algorithms have substantial applications in practice, such as recommender systems, online advertising, clinical trials, etc. Recent works show that optimal bandit algorithms are vulnerable to adversarial attacks and can fail completely in the presence of attacks. Existing robust bandit algorithms only work for the non-contextual setting under the attack of rewards and cannot improve the robustness in the general and popular contextual bandit environment. In addition, none of the existing methods can defend against attacked context. In this work, we provide the first robust bandit algorithm for stochastic linear contextual bandit setting under a fully adaptive and omniscient attack with sub-linear regret. Our algorithm not only works under the attack of rewards, but also under attacked context. Moreover, it does not need any information about the attack budget or the particular form of the attack. We provide theoretical guarantees for our proposed algorithm and show by experiments that our proposed algorithm improves the robustness against various kinds of popular attacks.  ( 2 min )

Batch reinforcement learning (RL) aims at finding an optimal policy in a dynamic environment in order to maximize the expected total rewards by leveraging pre-collected data. A fundamental challenge behind this task is the distributional mismatch between the batch data generating process and the distribution induced by target policies. Nearly all existing algorithms rely on the absolutely continuous assumption on the distribution induced by target policies with respect to the data distribution so that the batch data can be used to calibrate target policies via the change of measure. However, the absolute continuity assumption could be violated in practice, especially when the state-action space is large or continuous. In this paper, we propose a new batch RL algorithm without requiring absolute continuity in the setting of an infinite-horizon Markov decision process with continuous states and actions. We call our algorithm STEEL: SingulariTy-awarE rEinforcement Learning. Our algorithm is motivated by a new error analysis on off-policy evaluation, where we use maximum mean discrepancy, together with distributionally robust optimization, to characterize the error of off-policy evaluation caused by the possible singularity and to enable the power of model extrapolation. By leveraging the idea of pessimism and under some mild conditions, we derive a finite-sample regret guarantee for our proposed algorithm without imposing absolute continuity. Compared with existing algorithms, STEEL only requires some minimal data-coverage assumption and thus greatly enhances the applicability and robustness of batch RL. Extensive simulation studies and one real experiment on personalized pricing demonstrate the superior performance of our method when facing possible singularity in batch RL.  ( 2 min )

Many real-world domains require safe decision making in the presence of uncertainty. In this work, we propose a deep reinforcement learning framework for approaching this important problem. We consider a risk-averse perspective towards model uncertainty through the use of coherent distortion risk measures, and we show that our formulation is equivalent to a distributionally robust safe reinforcement learning problem with robustness guarantees on performance and safety. We propose an efficient implementation that only requires access to a single training environment, and we demonstrate that our framework produces robust, safe performance on a variety of continuous control tasks with safety constraints in the Real-World Reinforcement Learning Suite.  ( 2 min )

Stacking (or stacked generalization) is an ensemble learning method with one main distinctiveness from the rest: even though several base models are trained on the original data set, their predictions are further used as input data for one or more metamodels arranged in at least one extra layer. Composing a stack of models can produce high-performance outcomes, but it usually involves a trial-and-error process. Therefore, our previously developed visual analytics system, StackGenVis, was mainly designed to assist users in choosing a set of top-performing and diverse models by measuring their predictive performance. However, it only employs a single logistic regression metamodel. In this paper, we investigate the impact of alternative metamodels on the performance of stacking ensembles using a novel visualization tool, called MetaStackVis. Our interactive tool helps users to visually explore different singular and pairs of metamodels according to their predictive probabilities and multiple validation metrics, as well as their ability to predict specific problematic data instances. MetaStackVis was evaluated with a usage scenario based on a medical data set and via expert interviews.  ( 2 min )

State-of-the-art performance in electroencephalography (EEG) decoding tasks is currently often achieved with either Deep-Learning or Riemannian-Geometry-based decoders. Recently, there is growing interest in Deep Riemannian Networks (DRNs) possibly combining the advantages of both previous classes of methods. However, there are still a range of topics where additional insight is needed to pave the way for a more widespread application of DRNs in EEG. These include architecture design questions such as network size and end-to-end ability as well as model training questions. How these factors affect model performance has not been explored. Additionally, it is not clear how the data within these networks is transformed, and whether this would correlate with traditional EEG decoding. Our study aims to lay the groundwork in the area of these topics through the analysis of DRNs for EEG with a wide range of hyperparameters. Networks were tested on two public EEG datasets and compared with state-of-the-art ConvNets. Here we propose end-to-end EEG SPDNet (EE(G)-SPDNet), and we show that this wide, end-to-end DRN can outperform the ConvNets, and in doing so use physiologically plausible frequency regions. We also show that the end-to-end approach learns more complex filters than traditional band-pass filters targeting the classical alpha, beta, and gamma frequency bands of the EEG, and that performance can benefit from channel specific filtering approaches. Additionally, architectural analysis revealed areas for further improvement due to the possible loss of Riemannian specific information throughout the network. Our study thus shows how to design and train DRNs to infer task-related information from the raw EEG without the need of handcrafted filterbanks and highlights the potential of end-to-end DRNs such as EE(G)-SPDNet for high-performance EEG decoding.  ( 3 min )

We consider the stochastic linear contextual bandit problem with high-dimensional features. We analyze the Thompson sampling algorithm using special classes of sparsity-inducing priors (e.g., spike-and-slab) to model the unknown parameter and provide a nearly optimal upper bound on the expected cumulative regret. To the best of our knowledge, this is the first work that provides theoretical guarantees of Thompson sampling in high-dimensional and sparse contextual bandits. For faster computation, we use variational inference instead of Markov Chain Monte Carlo (MCMC) to approximate the posterior distribution. Extensive simulations demonstrate the improved performance of our proposed algorithm over existing ones.  ( 2 min )

We study nonlinear optimization problems with a stochastic objective and deterministic equality and inequality constraints, which emerge in numerous applications including finance, manufacturing, power systems and, recently, deep neural networks. We propose an active-set stochastic sequential quadratic programming (StoSQP) algorithm that utilizes a differentiable exact augmented Lagrangian as the merit function. The algorithm adaptively selects the penalty parameters of the augmented Lagrangian and performs a stochastic line search to decide the stepsize. The global convergence is established: for any initialization, the KKT residuals converge to zero almost surely. Our algorithm and analysis further develop the prior work of Na et al., (2022). Specifically, we allow nonlinear inequality constraints without requiring the strict complementary condition; refine some of the designs in Na et al., (2022) such as the feasibility error condition and the monotonically increasing sample size; strengthen the global convergence guarantee; and improve the sample complexity on the objective Hessian. We demonstrate the performance of the designed algorithm on a subset of nonlinear problems collected in CUTEst test set and on constrained logistic regression problems.  ( 2 min )

This paper considers the learning of logical (Boolean) functions with focus on the generalization on the unseen (GOTU) setting, a strong case of out-of-distribution generalization. This is motivated by the fact that the rich combinatorial nature of data in certain reasoning tasks (e.g., arithmetic/logic) makes representative data sampling challenging, and learning successfully under GOTU gives a first vignette of an 'extrapolating' or 'reasoning' learner. We then study how different network architectures trained by (S)GD perform under GOTU and provide both theoretical and experimental evidence that for a class of network models including instances of Transformers, random features models, and diagonal linear networks, a min-degree-interpolator (MDI) is learned on the unseen. We also provide evidence that other instances with larger learning rates or mean-field networks reach leaky MDIs. These findings lead to two implications: (1) we provide an explanation to the length generalization problem (e.g., Anil et al. 2022); (2) we introduce a curriculum learning algorithm called Degree-Curriculum that learns monomials more efficiently by incrementing supports.  ( 2 min )

Optimal transport is an important tool in machine learning, allowing to capture geometric properties of the data through a linear program on transport polytopes. We present a single-loop optimization algorithm for minimizing general convex objectives on these domains, utilizing the principles of Sinkhorn matrix scaling and mirror descent. The proposed algorithm is robust to noise, and can be used in an online setting. We provide theoretical guarantees for convex objectives and experimental results showcasing it effectiveness on both synthetic and real-world data.  ( 2 min )

In text-to-SQL task, seq-to-seq models often lead to sub-optimal performance due to limitations in their architecture. In this paper, we present a simple yet effective approach that adapts transformer-based seq-to-seq model to robust text-to-SQL generation. Instead of inducing constraint to decoder or reformat the task as slot-filling, we propose to train seq-to-seq model with Schema aware Denoising (SeaD), which consists of two denoising objectives that train model to either recover input or predict output from two novel erosion and shuffle noises. These denoising objectives acts as the auxiliary tasks for better modeling the structural data in S2S generation. In addition, we improve and propose a clause-sensitive execution guided (EG) decoding strategy to overcome the limitation of EG decoding for generative model. The experiments show that the proposed method improves the performance of seq-to-seq model in both schema linking and grammar correctness and establishes new state-of-the-art on WikiSQL benchmark. The results indicate that the capacity of vanilla seq-to-seq architecture for text-to-SQL may have been under-estimated.  ( 2 min )

An individualized decision rule (IDR) is a decision function that assigns each individual a given treatment based on his/her observed characteristics. Most of the existing works in the literature consider settings with binary or finitely many treatment options. In this paper, we focus on the continuous treatment setting and propose a jump interval-learning to develop an individualized interval-valued decision rule (I2DR) that maximizes the expected outcome. Unlike IDRs that recommend a single treatment, the proposed I2DR yields an interval of treatment options for each individual, making it more flexible to implement in practice. To derive an optimal I2DR, our jump interval-learning method estimates the conditional mean of the outcome given the treatment and the covariates via jump penalized regression, and derives the corresponding optimal I2DR based on the estimated outcome regression function. The regressor is allowed to be either linear for clear interpretation or deep neural network to model complex treatment-covariates interactions. To implement jump interval-learning, we develop a searching algorithm based on dynamic programming that efficiently computes the outcome regression function. Statistical properties of the resulting I2DR are established when the outcome regression function is either a piecewise or continuous function over the treatment space. We further develop a procedure to infer the mean outcome under the (estimated) optimal policy. Extensive simulations and a real data application to a warfarin study are conducted to demonstrate the empirical validity of the proposed I2DR.  ( 2 min )

Evaluating the performance of an ongoing policy plays a vital role in many areas such as medicine and economics, to provide crucial instruction on the early-stop of the online experiment and timely feedback from the environment. Policy evaluation in online learning thus attracts increasing attention by inferring the mean outcome of the optimal policy (i.e., the value) in real-time. Yet, such a problem is particularly challenging due to the dependent data generated in the online environment, the unknown optimal policy, and the complex exploration and exploitation trade-off in the adaptive experiment. In this paper, we aim to overcome these difficulties in policy evaluation for online learning. We explicitly derive the probability of exploration that quantifies the probability of exploring the non-optimal actions under commonly used bandit algorithms. We use this probability to conduct valid inference on the online conditional mean estimator under each action and develop the doubly robust interval estimation (DREAM) method to infer the value under the estimated optimal policy in online learning. The proposed value estimator provides double protection on the consistency and is asymptotically normal with a Wald-type confidence interval provided. Extensive simulations and real data applications are conducted to demonstrate the empirical validity of the proposed DREAM method.  ( 2 min )

Many variants of the Wasserstein distance have been introduced to reduce its original computational burden. In particular the Sliced-Wasserstein distance (SW), which leverages one-dimensional projections for which a closed-form solution of the Wasserstein distance is available, has received a lot of interest. Yet, it is restricted to data living in Euclidean spaces, while the Wasserstein distance has been studied and used recently on manifolds. We focus more specifically on the sphere, for which we define a novel SW discrepancy, which we call spherical Sliced-Wasserstein, making a first step towards defining SW discrepancies on manifolds. Our construction is notably based on closed-form solutions of the Wasserstein distance on the circle, together with a new spherical Radon transform. Along with efficient algorithms and the corresponding implementations, we illustrate its properties in several machine learning use cases where spherical representations of data are at stake: sampling on the sphere, density estimation on real earth data or hyperspherical auto-encoders.  ( 2 min )

Predictive algorithms, such as deep neural networks (DNNs), are used in many domain sciences to directly estimate internal parameters of interest in simulator-based models, especially in settings where the observations include images or other complex high-dimensional data. In parallel, modern neural density estimators, such as normalizing flows, are becoming increasingly popular for uncertainty quantification, especially when both parameters and observations are high-dimensional. However, parameter inference is an inverse problem and not a prediction task; thus, an open challenge is to construct conditionally valid and precise confidence regions, with a guaranteed probability of covering the true parameters of the data-generating process, no matter what the (unknown) parameter values are, and without relying on large-sample theory. Many simulator-based inference (SBI) methods are indeed known to produce biased or overly confident parameter regions, yielding misleading uncertainty estimates. This paper presents WALDO, a novel method for constructing confidence regions with finite-sample conditional validity by leveraging prediction algorithms or posterior estimators that are currently widely adopted in SBI. WALDO reframes the well-known Wald test statistic, and uses a computationally efficient regression-based machinery for classical Neyman inversion of hypothesis tests. We apply our method to a recent high-energy physics problem, where prediction with DNNs has previously led to estimates with prediction bias. We also illustrate how our approach can correct overly confident posterior regions computed with normalizing flows.  ( 2 min )

Quantum machine learning (QML) offers a powerful, flexible paradigm for programming near-term quantum computers, with applications in chemistry, metrology, materials science, data science, and mathematics. Here, one trains an ansatz, in the form of a parameterized quantum circuit, to accomplish a task of interest. However, challenges have recently emerged suggesting that deep ansatzes are difficult to train, due to flat training landscapes caused by randomness or by hardware noise. This motivates our work, where we present a variable structure approach to build ansatzes for QML. Our approach, called VAns (Variable Ansatz), applies a set of rules to both grow and (crucially) remove quantum gates in an informed manner during the optimization. Consequently, VAns is ideally suited to mitigate trainability and noise-related issues by keeping the ansatz shallow. We employ VAns in the variational quantum eigensolver for condensed matter and quantum chemistry applications, in the quantum autoencoder for data compression and in unitary compilation problems showing successful results in all cases.  ( 2 min )

Consider an online convex optimization problem where the loss functions are self-concordant barriers, smooth relative to a convex function $h$, and possibly non-Lipschitz. We analyze the regret of online mirror descent with $h$. Then, based on the result, we prove the following in a unified manner. Denote by $T$ the time horizon and $d$ the parameter dimension. 1. For online portfolio selection, the regret of $\widetilde{\text{EG}}$, a variant of exponentiated gradient due to Helmbold et al., is $\tilde{O} ( T^{2/3} d^{1/3} )$ when $T > 4 d / \log d$. This improves on the original $\tilde{O} ( T^{3/4} d^{1/2} )$ regret bound for $\widetilde{\text{EG}}$. 2. For online portfolio selection, the regret of online mirror descent with the logarithmic barrier is $\tilde{O}(\sqrt{T d})$. The regret bound is the same as that of Soft-Bayes due to Orseau et al. up to logarithmic terms. 3. For online learning quantum states with the logarithmic loss, the regret of online mirror descent with the log-determinant function is also $\tilde{O} ( \sqrt{T d} )$. Its per-iteration time is shorter than all existing algorithms we know.  ( 2 min )

Observational studies require adjustment for confounding factors that are correlated with both the treatment and outcome. In the setting where the observed variables are tabular quantities such as average income in a neighborhood, tools have been developed for addressing such confounding. However, in many parts of the developing world, features about local communities may be scarce. In this context, satellite imagery can play an important role, serving as a proxy for the confounding variables otherwise unobserved. In this paper, we study confounder adjustment in this non-tabular setting, where patterns or objects found in satellite images contribute to the confounder bias. Using the evaluation of anti-poverty aid programs in Africa as our running example, we formalize the challenge of performing causal adjustment with such unstructured data -- what conditions are sufficient to identify causal effects, how to perform estimation, and how to quantify the ways in which certain aspects of the unstructured image object are most predictive of the treatment decision. Via simulation, we also explore the sensitivity of satellite image-based observational inference to image resolution and to misspecification of the image-associated confounder. Finally, we apply these tools in estimating the effect of anti-poverty interventions in African communities from satellite imagery.  ( 2 min )

This paper outlines an end-to-end optimized lossy image compression framework using diffusion generative models. The approach relies on the transform coding paradigm, where an image is mapped into a latent space for entropy coding and, from there, mapped back to the data space for reconstruction. In contrast to VAE-based neural compression, where the (mean) decoder is a deterministic neural network, our decoder is a conditional diffusion model. Our approach thus introduces an additional ``content'' latent variable on which the reverse diffusion process is conditioned and uses this variable to store information about the image. The remaining ``texture'' latent variables characterizing the diffusion process are synthesized (stochastically or deterministically) at decoding time. We show that the model's performance can be tuned toward perceptual metrics of interest. Our extensive experiments involving five datasets and sixteen image quality assessment metrics show that our approach yields the strongest reported FID scores while also yielding competitive performance with state-of-the-art models in several SIM-based reference metrics.  ( 2 min )

Traditionally, the random noise is equally injected when training with different data instances in the field of differential privacy (DP). In this paper, we first give sharper excess risk bounds of DP stochastic gradient descent (SGD) method. Considering most of the previous methods are under convex conditions, we use Polyak-{\L}ojasiewicz condition to relax it in this paper. Then, after observing that different training data instances affect the machine learning model to different extent, we consider the heterogeneity of training data and attempt to improve the performance of DP-SGD from a new perspective. Specifically, by introducing the influence function (IF), we quantitatively measure the contributions of various training data on the final machine learning model. If the contribution made by a single data instance is so little that attackers cannot infer anything from the model, we do not add noise when training with it. Based on this observation, we design a `Performance Improving' DP-SGD algorithm: PIDP-SGD. Theoretical and experimental results show that our proposed PIDP-SGD improves the performance significantly.  ( 2 min )

We consider the estimation of two-sample integral functionals, of the type that occur naturally, for example, when the object of interest is a divergence between unknown probability densities. Our first main result is that, in wide generality, a weighted nearest neighbour estimator is efficient, in the sense of achieving the local asymptotic minimax lower bound. Moreover, we also prove a corresponding central limit theorem, which facilitates the construction of asymptotically valid confidence intervals for the functional, having asymptotically minimal width. One interesting consequence of our results is the discovery that, for certain functionals, the worst-case performance of our estimator may improve on that of the natural `oracle' estimator, which is given access to the values of the unknown densities at the observations.  ( 2 min )

This paper studies the problem of optimally allocating treatments in the presence of spillover effects, using information from a (quasi-)experiment. I introduce a method that maximizes the sample analog of average social welfare when spillovers occur. I construct semi-parametric welfare estimators with known and unknown propensity scores and cast the optimization problem into a mixed-integer linear program, which can be solved using off-the-shelf algorithms. I derive a strong set of guarantees on regret, i.e., the difference between the maximum attainable welfare and the welfare evaluated at the estimated policy. The proposed method presents attractive features for applications: (i) it does not require network information of the target population; (ii) it exploits heterogeneity in treatment effects for targeting individuals; (iii) it does not rely on the correct specification of a particular structural model; and (iv) it accommodates constraints on the policy function. An application for targeting information on social networks illustrates the advantages of the method.  ( 2 min )

We present an algorithm for learning mixtures of Markov chains and Markov decision processes (MDPs) from short unlabeled trajectories. Specifically, our method handles mixtures of Markov chains with optional control input by going through a multi-step process, involving (1) a subspace estimation step, (2) spectral clustering of trajectories using "pairwise distance estimators," along with refinement using the EM algorithm, (3) a model estimation step, and (4) a classification step for predicting labels of new trajectories. We provide end-to-end performance guarantees, where we only explicitly require the length of trajectories to be linear in the number of states and the number of trajectories to be linear in a mixing time parameter. Experimental results support these guarantees, where we attain 96.6% average accuracy on a mixture of two MDPs in gridworld, outperforming the EM algorithm with random initialization (73.2% average accuracy).  ( 2 min )

Detecting the presence of project management anti-patterns (AP) currently requires experts on the matter and is an expensive endeavor. Worse, experts may introduce their individual subjectivity or bias. Using the Fire Drill AP, we first introduce a novel way to translate descriptions into detectable AP that are comprised of arbitrary metrics and events such as logged time or maintenance activities, which are mined from the underlying source code or issue-tracking data, thus making the description objective as it becomes data-based. Secondly, we demonstrate a novel method to quantify and score the deviations of real-world projects to data-based AP descriptions. Using fifteen real-world projects that exhibit a Fire Drill to some degree, we show how to further enhance the translated AP. The ground truth in these projects was extracted from two individual experts and consensus was found between them. We introduce a novel method called automatic calibration, that optimizes a pattern such that only necessary and important scores remain that suffice to confidently detect the degree to which the AP is present. Without automatic calibration, the proposed patterns show only weak potential for detecting the presence. Enriching the AP with data from real-world projects significantly improves the potential. We also introduce a no-pattern approach that exploits the ground truth for establishing a new, quantitative understanding of the phenomenon, as well as for finding gray-/black-box predictive models. We conclude that the presence detection and severity assessment of the Fire Drill anti-pattern, as well as some of its related and similar patterns, is certainly possible using some of the presented approaches.  ( 3 min )

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the 'manifoldness' of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.  ( 2 min )

This manuscript proposes to extend the information set of time-series regression trees with latent stationary factors extracted via state-space methods. In doing so, this approach generalises time-series regression trees on two dimensions. First, it allows to handle predictors that exhibit measurement error, non-stationary trends, seasonality and/or irregularities such as missing observations. Second, it gives a transparent way for using domain-specific theory to inform time-series regression trees. As a byproduct, this technique sets the foundations for structuring powerful ensembles. Their real-world applicability is studied under the lenses of empirical macro-finance.  ( 2 min )

Developing machine learning-based interatomic potentials from ab-initio electronic structure methods remains a challenging task for computational chemistry and materials science. This work studies the capability of transfer learning, in particular discriminative fine-tuning, for efficiently generating chemically accurate interatomic neural network potentials on organic molecules from the MD17 and ANI data sets. We show that pre-training the network parameters on data obtained from density functional calculations considerably improves the sample efficiency of models trained on more accurate ab-initio data. Additionally, we show that fine-tuning with energy labels alone can suffice to obtain accurate atomic forces and run large-scale atomistic simulations, provided a well-designed fine-tuning data set. We also investigate possible limitations of transfer learning, especially regarding the design and size of the pre-training and fine-tuning data sets. Finally, we provide GM-NN potentials pre-trained and fine-tuned on the ANI-1x and ANI-1ccx data sets, which can easily be fine-tuned on and applied to organic molecules.  ( 2 min )

We study a variant of Newton's method for empirical risk minimization, where at each iteration of the optimization algorithm, we replace the gradient and Hessian of the objective function by robust estimators taken from existing literature on robust mean estimation for multivariate data. After proving a general theorem about the convergence of successive iterates to a small ball around the population-level minimizer, we study consequences of our theory in generalized linear models, when data are generated from Huber's epsilon-contamination model and/or heavy-tailed distributions. We also propose an algorithm for obtaining robust Newton directions based on the conjugate gradient method, which may be more appropriate for high-dimensional settings, and provide conjectures about the convergence of the resulting algorithm. Compared to the robust gradient descent algorithm proposed by Prasad et al. (2020), our algorithm enjoys the faster rates of convergence for successive iterates often achieved by second-order algorithms for convex problems, i.e., quadratic convergence in a neighborhood of the optimum, with a stepsize that may be chosen adaptively via backtracking linesearch.  ( 2 min )

Modern policy optimization methods in applied reinforcement learning are often inspired by the trust region policy optimization algorithm, which can be interpreted as a particular instance of policy mirror descent. While theoretical guarantees have been established for this framework, particularly in the tabular setting, the use of a general parametrization scheme remains mostly unjustified. In this work, we introduce a novel framework for policy optimization based on mirror descent that naturally accommodates general parametrizations. The policy class induced by our scheme recovers known classes, e.g. tabular softmax, log-linear, and neural policies. It also generates new ones, depending on the choice of the mirror map. For a general mirror map and parametrization function, we establish the quasi-monotonicity of the updates in value function, global linear convergence rates, and we bound the total variation of the algorithm along its path. To showcase the ability of our framework to accommodate general parametrization schemes, we present a case study involving shallow neural networks.  ( 2 min )

This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which have been used for distributions over discrete structures such as graphs. We demonstrate that, in certain cases, VI algorithms are equivalent to special cases of GFlowNets in the sense of equality of expected gradients of their learning objectives. We then point out the differences between the two families and show how these differences emerge experimentally. Notably, GFlowNets, which borrow ideas from reinforcement learning, are more amenable than VI to off-policy training without the cost of high gradient variance induced by importance sampling. We argue that this property of GFlowNets can provide advantages for capturing diversity in multimodal target distributions.  ( 2 min )

This article proposes a generalisation of the delete-$d$ jackknife to solve hyperparameter selection problems for time series. I call it artificial delete-$d$ jackknife to stress that this approach substitutes the classic removal step with a fictitious deletion, wherein observed datapoints are replaced with artificial missing values. This procedure keeps the data order intact and allows plain compatibility with time series. This manuscript justifies the use of this approach asymptotically and shows its finite-sample advantages through simulation studies. Besides, this article describes its real-world advantages by regulating high-dimensional forecasting models for foreign exchange rates.  ( 2 min )

As a regression technique in spatial statistics, the spatiotemporally varying coefficient model (STVC) is an important tool for discovering nonstationary and interpretable response-covariate associations over both space and time. However, it is difficult to apply STVC for large-scale spatiotemporal analyses due to its high computational cost. To address this challenge, we summarize the spatiotemporally varying coefficients using a third-order tensor structure and propose to reformulate the spatiotemporally varying coefficient model as a special low-rank tensor regression problem. The low-rank decomposition can effectively model the global patterns of the large data sets with a substantially reduced number of parameters. To further incorporate the local spatiotemporal dependencies, we use Gaussian process (GP) priors on the spatial and temporal factor matrices. We refer to the overall framework as Bayesian Kernelized Tensor Regression (BKTR). For model inference, we develop an efficient Markov chain Monte Carlo (MCMC) algorithm, which uses Gibbs sampling to update factor matrices and slice sampling to update kernel hyperparameters. We conduct extensive experiments on both synthetic and real-world data sets, and our results confirm the superior performance and efficiency of BKTR for model estimation and parameter inference.  ( 2 min )

We present a Gaussian Process (GP) approach (Gaussian Process Hydrodynamics, GPH) for approximating the solution of the Euler and Navier-Stokes equations. As in Smoothed Particle Hydrodynamics (SPH), GPH is a Lagrangian particle-based approach involving the tracking of a finite number of particles transported by the flow. However, these particles do not represent mollified particles of matter but carry discrete/partial information about the continuous flow. Closure is achieved by placing a divergence-free GP prior $\xi$ on the velocity field and conditioning on vorticity at particle locations. Known physics (e.g., the Richardson cascade and velocity-increments power laws) is incorporated into the GP prior through physics-informed additive kernels. This approach allows us to coarse-grain turbulence in a statistical manner rather than a deterministic one. By enforcing incompressibility and fluid/structure boundary conditions through the selection of the kernel, GPH requires much fewer particles than SPH. Since GPH has a natural probabilistic interpretation, numerical results come with uncertainty estimates enabling their incorporation into a UQ pipeline and the adding/removing of particles (quantas of information) in an adapted manner. The proposed approach is amenable to analysis, it inherits the complexity of state-of-the-art solvers for dense kernel matrices, and it leads to a natural definition of turbulence as information loss. Numerical experiments support the importance of selecting physics-informed kernels and illustrate the major impact of such kernels on accuracy and stability. Since the proposed approach has a Bayesian interpretation, it naturally enables data assimilation and making predictions and estimations based on mixing simulation data with experimental data.  ( 2 min )

Bayesian Neural Networks (BNNs) provide a tool to estimate the uncertainty of a neural network by considering a distribution over weights and sampling different models for each input. In this paper, we propose a method for uncertainty estimation in neural networks which, instead of considering a distribution over weights, samples outputs of each layer from a corresponding Gaussian distribution, parametrized by the predictions of mean and variance sub-layers. In uncertainty quality estimation experiments, we show that the proposed method achieves better uncertainty quality than other single-bin Bayesian Model Averaging methods, such as Monte Carlo Dropout or Bayes By Backpropagation methods.  ( 2 min )

In this paper, we study the bias of Stochastic Gradient Descent (SGD) to learn low-rank weight matrices when training deep ReLU neural networks. Our results show that training neural networks with mini-batch SGD and weight decay causes a bias towards rank minimization over the weight matrices. Specifically, we show, both theoretically and empirically, that this bias is more pronounced when using smaller batch sizes, higher learning rates, or increased weight decay. Additionally, we predict and observe empirically that weight decay is necessary to achieve this bias. Finally, we empirically investigate the connection between this bias and generalization, finding that it has a marginal effect on generalization. Our analysis is based on a minimal set of assumptions and applies to neural networks of any width or depth, including those with residual connections and convolutional layers.  ( 2 min )

Personalization of machine learning (ML) predictions for individual users/domains/enterprises is critical for practical recommendation style systems. Standard personalization approaches involve learning a user/domain specific embedding that is fed into a fixed global model which can be limiting. On the other hand, personalizing/fine-tuning model itself for each user/domain -- a.k.a meta-learning -- has high storage/infrastructure cost. We propose a novel meta-learning style approach that models network weights as a sum of low-rank and sparse matrices. This captures common information from multiple individuals/users together in the low-rank part while sparse part captures user-specific idiosyncrasies. Furthermore, the framework is up to two orders of magnitude more scalable (in terms of storage/infrastructure cost) than user-specific finetuning of model. We then study the framework in the linear setting, where the problem reduces to that of estimating the sum of a rank-$r$ and a $k$-column sparse matrix using a small number of linear measurements. We propose an alternating minimization method with iterative hard thresholding -- AMHT-LRS -- to learn the low-rank and sparse part. For the realizable, Gaussian data setting, we show that AMHT-LRS solves the problem efficiently with nearly optimal samples. A significant challenge in personalization is ensuring privacy of each user's sensitive data. We alleviate this problem by proposing a differentially private variant of our method that also is equipped with strong generalization guarantees. Finally, on multiple standard recommendation datasets, we demonstrate that our approach allows personalized models to obtain superior performance in sparse data regime.  ( 2 min )

We consider the problem of decision-making under uncertainty in an environment with safety constraints. Many business and industrial applications rely on real-time optimization to improve key performance indicators. In the case of unknown characteristics, real-time optimization becomes challenging, particularly because of the satisfaction of safety constraints. We propose the ARTEO algorithm, where we cast multi-armed bandits as a mathematical programming problem subject to safety constraints and learn the unknown characteristics through exploration while optimizing the targets. We quantify the uncertainty in unknown characteristics by using Gaussian processes and incorporate it into the cost function as a contribution which drives exploration. We adaptively control the size of this contribution in accordance with the requirements of the environment. We guarantee the safety of our algorithm with a high probability through confidence bounds constructed under the regularity assumptions of Gaussian processes. We demonstrate the safety and efficiency of our approach with two case studies: optimization of electric motor current and real-time bidding problems. We further evaluate the performance of ARTEO compared to a safe variant of upper confidence bound based algorithms. ARTEO achieves less cumulative regret with accurate and safe decisions.  ( 2 min )

We study high-probability regret bounds for adversarial $K$-armed bandits with time-varying feedback graphs over $T$ rounds. For general strongly observable graphs, we develop an algorithm that achieves the optimal regret $\widetilde{\mathcal{O}}((\sum_{t=1}^T\alpha_t)^{1/2}+\max_{t\in[T]}\alpha_t)$ with high probability, where $\alpha_t$ is the independence number of the feedback graph at round $t$. Compared to the best existing result [Neu, 2015] which only considers graphs with self-loops for all nodes, our result not only holds more generally, but importantly also removes any $\text{poly}(K)$ dependence that can be prohibitively large for applications such as contextual bandits. Furthermore, we also develop the first algorithm that achieves the optimal high-probability regret bound for weakly observable graphs, which even improves the best expected regret bound of [Alon et al., 2015] by removing the $\mathcal{O}(\sqrt{KT})$ term with a refined analysis. Our algorithms are based on the online mirror descent framework, but importantly with an innovative combination of several techniques. Notably, while earlier works use optimistic biased loss estimators for achieving high-probability bounds, we find it important to use a pessimistic one for nodes without self-loop in a strongly observable graph.  ( 2 min )

Efficient computation of the optimal transport distance between two distributions serves as an algorithm subroutine that empowers various applications. This paper develops a scalable first-order optimization-based method that computes optimal transport to within $\varepsilon$ additive accuracy with runtime $\widetilde{O}( n^2/\varepsilon)$, where $n$ denotes the dimension of the probability distributions of interest. Our algorithm achieves the state-of-the-art computational guarantees among all first-order methods, while exhibiting favorable numerical performance compared to classical algorithms like Sinkhorn and Greenkhorn. Underlying our algorithm designs are two key elements: (a) converting the original problem into a bilinear minimax problem over probability distributions; (b) exploiting the extragradient idea -- in conjunction with entropy regularization and adaptive learning rates -- to accelerate convergence.  ( 2 min )

We consider learning in an adversarial Markov Decision Process (MDP) where the loss functions can change arbitrarily over $K$ episodes and the state space can be arbitrarily large. We assume that the Q-function of any policy is linear in some known features, that is, a linear function approximation exists. The best existing regret upper bound for this setting (Luo et al., 2021) is of order $\tilde{\mathcal O}(K^{2/3})$ (omitting all other dependencies), given access to a simulator. This paper provides two algorithms that improve the regret to $\tilde{\mathcal O}(\sqrt K)$ in the same setting. Our first algorithm makes use of a refined analysis of the Follow-the-Regularized-Leader (FTRL) algorithm with the log-barrier regularizer. This analysis allows the loss estimators to be arbitrarily negative and might be of independent interest. Our second algorithm develops a magnitude-reduced loss estimator, further removing the polynomial dependency on the number of actions in the first algorithm and leading to the optimal regret bound (up to logarithmic terms and dependency on the horizon). Moreover, we also extend the first algorithm to simulator-free linear MDPs, which achieves $\tilde{\mathcal O}(K^{8/9})$ regret and greatly improves over the best existing bound $\tilde{\mathcal O}(K^{14/15})$. This algorithm relies on a better alternative to the Matrix Geometric Resampling procedure by Neu & Olkhovskaya (2020), which could again be of independent interest.  ( 2 min )

With the growing competition in banking industry, banks are required to follow customer retention strategies while they are trying to increase their market share by acquiring new customers. This study compares the performance of six supervised classification techniques to suggest an efficient model to predict customer churn in banking industry, given 10 demographic and personal attributes from 10000 customers of European banks. The effect of feature selection, class imbalance, and outliers will be discussed for ANN and random forest as the two competing models. As shown, unlike random forest, ANN does not reveal any serious concern regarding overfitting and is also robust to noise. Therefore, ANN structure with five nodes in a single hidden layer is recognized as the best performing classifier.  ( 2 min )

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling, density evaluation, and unbiased ELBO estimation. We then show that MixFlows have MCMC-like convergence guarantees when the flow map is ergodic and measure-preserving, and provide bounds on the accumulation of error for practical implementations where the flow map is approximated. Finally, we develop an implementation of MixFlows based on uncorrected discretized Hamiltonian dynamics combined with deterministic momentum refreshment. Simulated and real data experiments show that MixFlows can provide more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.  ( 2 min )

This paper introduces a new simulation-based inference procedure to model and sample from multi-dimensional probability distributions given access to i.i.d.\ samples, circumventing the usual approaches of explicitly modeling the density function or designing Markov chain Monte Carlo. Motivated by the seminal work on distance and isomorphism between metric measure spaces, we propose a new notion called the Reversible Gromov-Monge (RGM) distance and study how RGM can be used to design new transform samplers to perform simulation-based inference. Our RGM sampler can also estimate optimal alignments between two heterogeneous metric measure spaces $(\cX, \mu, c_{\cX})$ and $(\cY, \nu, c_{\cY})$ from empirical data sets, with estimated maps that approximately push forward one measure $\mu$ to the other $\nu$, and vice versa. We study the analytic properties of the RGM distance and derive that under mild conditions, RGM equals the classic Gromov-Wasserstein distance. Curiously, drawing a connection to Brenier's polar factorization, we show that the RGM sampler induces bias towards strong isomorphism with proper choices of $c_{\cX}$ and $c_{\cY}$. Statistical rate of convergence, representation, and optimization questions regarding the induced sampler are studied. Synthetic and real-world examples showcasing the effectiveness of the RGM sampler are also demonstrated.  ( 2 min )

With model trustworthiness being crucial for sensitive real-world applications, practitioners are putting more and more focus on improving the uncertainty calibration of deep neural networks. Calibration errors are designed to quantify the reliability of probabilistic predictions but their estimators are usually biased and inconsistent. In this work, we introduce the framework of proper calibration errors, which relates every calibration error to a proper score and provides a respective upper bound with optimal estimation properties. This relationship can be used to reliably quantify the model calibration improvement. We theoretically and empirically demonstrate the shortcomings of commonly used estimators compared to our approach. Due to the wide applicability of proper scores, this gives a natural extension of recalibration beyond classification.  ( 2 min )

Support vector machines (SVM) and other kernel techniques represent a family of powerful statistical classification methods with high accuracy and broad applicability. Because they use all or a significant portion of the training data, however, they can be slow, especially for large problems. Piecewise linear classifiers are similarly versatile, yet have the additional advantages of simplicity, ease of interpretation and, if the number of component linear classifiers is not too large, speed. Here we show how a simple, piecewise linear classifier can be trained from a kernel-based classifier in order to improve the classification speed. The method works by finding the root of the difference in conditional probabilities between pairs of opposite classes to build up a representation of the decision boundary. When tested on 17 different datasets, it succeeded in improving the classification speed of a SVM for 12 of them by up to two orders-of-magnitude. Of these, two were less accurate than a simple, linear classifier. The method is best suited to problems with continuum features data and smooth probability functions. Because the component linear classifiers are built up individually from an existing classifier, rather than through a simultaneous optimization procedure, the classifier is also fast to train.  ( 2 min )

Gaussian processes are arguably the most important class of spatiotemporal models within machine learning. They encode prior information about the modeled function and can be used for exact or approximate Bayesian learning. In many applications, particularly in physical sciences and engineering, but also in areas such as geostatistics and neuroscience, invariance to symmetries is one of the most fundamental forms of prior information one can consider. The invariance of a Gaussian process' covariance to such symmetries gives rise to the most natural generalization of the concept of stationarity to such spaces. In this work, we develop constructive and practical techniques for building stationary Gaussian processes on a very large class of non-Euclidean spaces arising in the context of symmetries. Our techniques make it possible to (i) calculate covariance kernels and (ii) sample from prior and posterior Gaussian processes defined on such spaces, both in a practical manner. This work is split into two parts, each involving different technical considerations: part I studies compact spaces, while part II studies non-compact spaces possessing certain structure. Our contributions make the non-Euclidean Gaussian process models we study compatible with well-understood computational techniques available in standard Gaussian process software packages, thereby making them accessible to practitioners.  ( 2 min )

Reinforcement learning, mathematically described by Markov Decision Problems, may be approached either through dynamic programming or policy search. Actor-critic algorithms combine the merits of both approaches by alternating between steps to estimate the value function and policy gradient updates. Due to the fact that the updates exhibit correlated noise and biased gradient updates, only the asymptotic behavior of actor-critic is known by connecting its behavior to dynamical systems. This work puts forth a new variant of actor-critic that employs Monte Carlo rollouts during the policy search updates, which results in controllable bias that depends on the number of critic evaluations. As a result, we are able to provide for the first time the convergence rate of actor-critic algorithms when the policy search step employs policy gradient, agnostic to the choice of policy evaluation technique. In particular, we establish conditions under which the sample complexity is comparable to stochastic gradient method for non-convex problems or slower as a result of the critic estimation error, which is the main complexity bottleneck. These results hold in continuous state and action spaces with linear function approximation for the value function. We then specialize these conceptual results to the case where the critic is estimated by Temporal Difference, Gradient Temporal Difference, and Accelerated Gradient Temporal Difference. These learning rates are then corroborated on a navigation problem involving an obstacle and the pendulum problem which provide insight into the interplay between optimization and generalization in reinforcement learning.  ( 2 min )

Performance benchmarking is a crucial component of time series classification (TSC) algorithm design, and a fast-growing number of datasets have been established for empirical benchmarking. However, the empirical benchmarks are costly and do not guarantee statistical optimality. This study proposes to benchmark the optimality of TSC algorithms in distinguishing diffusion processes by the likelihood ratio test (LRT). The LRT is optimal in the sense of the Neyman-Pearson lemma: it has the smallest false positive rate among classifiers with a controlled level of false negative rate. The LRT requires the likelihood ratio of the time series to be computable. The diffusion processes from stochastic differential equations provide such time series and are flexible in design for generating linear or nonlinear time series. We demonstrate the benchmarking with three scalable state-of-the-art TSC algorithms: random forest, ResNet, and ROCKET. Test results show that they can achieve LRT optimality for univariate time series and multivariate Gaussian processes. However, these model-agnostic algorithms are suboptimal in classifying nonlinear multivariate time series from high-dimensional stochastic interacting particle systems. Additionally, the LRT benchmark provides tools to analyze the dependence of classification accuracy on the time length, dimension, temporal sampling frequency, and randomness of the time series. Thus, the LRT with diffusion processes can systematically and efficiently benchmark the optimality of TSC algorithms and may guide their future improvements.  ( 2 min )

Graph Neural Networks (GNNs) had been demonstrated to be inherently susceptible to the problems of over-smoothing and over-squashing. These issues prohibit the ability of GNNs to model complex graph interactions by limiting their effectiveness in taking into account distant information. Our study reveals the key connection between the local graph geometry and the occurrence of both of these issues, thereby providing a unified framework for studying them at a local scale using the Ollivier-Ricci curvature. Specifically, we demonstrate that over-smoothing is linked to positive graph curvature, while over-squashing is linked to negative graph curvature. Based on our theory, we propose the Batch Ollivier-Ricci Flow, a novel rewiring algorithm capable of simultaneously addressing both over-smoothing and over-squashing.  ( 2 min )

There are many recent research efforts to fine-tune a pre-trained generator with a few target images to generate images of a novel domain. Unfortunately, these methods often suffer from overfitting or under-fitting when fine-tuned with a single target image. To address this, here we present a novel single-shot GAN adaptation method through unified CLIP space manipulations. Specifically, our model employs a two-step training strategy: reference image search in the source generator using a CLIP-guided latent optimization, followed by generator fine-tuning with a novel loss function that imposes CLIP space consistency between the source and adapted generators. To further improve the adapted model to produce spatially consistent samples with respect to the source generator, we also propose contrastive regularization for patchwise relationships in the CLIP space. Experimental results show that our model generates diverse outputs with the target texture and outperforms the baseline models both qualitatively and quantitatively. Furthermore, we show that our CLIP space manipulation strategy allows more effective attribute editing.  ( 2 min )

Knowledge distillation has been widely-used to improve the performance of a "student" network by hoping to mimic soft probabilities of a "teacher" network. Yet, for self-distillation to work, the student must somehow deviate from the teacher (Stanton et al., 2021). But what is the nature of these deviations, and how do they relate to gains in generalization? We investigate these questions through a series of experiments across image and language classification datasets. First, we observe that distillation consistently deviates in a characteristic way: on points where the teacher has low confidence, the student achieves even lower confidence than the teacher. Secondly, we find that deviations in the initial dynamics of training are not crucial -- simply switching to distillation loss in the middle of training can recover much of its gains. We then provide two parallel theoretical perspectives to understand the role of student-teacher deviations in our experiments, one casting distillation as a regularizer in eigenspace, and another as a gradient denoiser. Our analysis bridges several gaps between existing theory and practice by (a) focusing on gradient-descent training, (b) by avoiding label noise assumptions, and (c) by unifying several disjoint empirical and theoretical findings.  ( 2 min )

Location-scale noise models (LSNMs) are a class of heteroscedastic structural causal models with wide applicability, closely related to affine flow models. Recent likelihood-based methods designed for LSNMs that infer cause-effect relationships achieve state-of-the-art accuracy, when their assumptions are satisfied concerning the noise distributions. However, under misspecification their accuracy deteriorates sharply, especially when the conditional variance in the anti-causal direction is smaller than that in the causal direction. In this paper, we demonstrate the misspecification problem and analyze why and when it occurs. We show that residual independence testing is much more robust to misspecification than likelihood-based cause-effect inference. Our empirical evaluation includes 580 synthetic and 99 real-world datasets.  ( 2 min )

Graph generative model evaluation necessitates understanding differences between graphs on the distributional level. This entails being able to harness salient attributes of graphs in an efficient manner. Curvature constitutes one such property of graphs, and has recently started to prove useful in characterising graphs. Its expressive properties, stability, and practical utility in model evaluation remain largely unexplored, however. We combine graph curvature descriptors with cutting-edge methods from topological data analysis to obtain robust, expressive descriptors for evaluating graph generative models.  ( 2 min )

Heteroscedastic classifiers, which learn a multivariate Gaussian distribution over prediction logits, have been shown to perform well on image classification problems with hundreds to thousands of classes. However, compared to standard classifiers, they introduce extra parameters that scale linearly with the number of classes. This makes them infeasible to apply to larger-scale problems. In addition heteroscedastic classifiers introduce a critical temperature hyperparameter which must be tuned. We propose HET-XL, a heteroscedastic classifier whose parameter count when compared to a standard classifier scales independently of the number of classes. In our large-scale settings, we show that we can remove the need to tune the temperature hyperparameter, by directly learning it on the training data. On large image classification datasets with up to 4B images and 30k classes our method requires 14X fewer additional parameters, does not require tuning the temperature on a held-out set and performs consistently better than the baseline heteroscedastic classifier. HET-XL improves ImageNet 0-shot classification in a multimodal contrastive learning setup which can be viewed as a 3.5 billion class classification problem.  ( 2 min )

We investigate the expressive power of depth-2 bandlimited random neural networks. A random net is a neural network where the hidden layer parameters are frozen with random assignment, and only the output layer parameters are trained by loss minimization. Using random weights for a hidden layer is an effective method to avoid non-convex optimization in standard gradient descent learning. It has also been adopted in recent deep learning theories. Despite the well-known fact that a neural network is a universal approximator, in this study, we mathematically show that when hidden parameters are distributed in a bounded domain, the network may not achieve zero approximation error. In particular, we derive a new nontrivial approximation error lower bound. The proof utilizes the technique of ridgelet analysis, a harmonic analysis method designed for neural networks. This method is inspired by fundamental principles in classical signal processing, specifically the idea that signals with limited bandwidth may not always be able to perfectly recreate the original signal. We corroborate our theoretical results with various simulation studies, and generally, two main take-home messages are offered: (i) Not any distribution for selecting random weights is feasible to build a universal approximator; (ii) A suitable assignment of random weights exists but to some degree is associated with the complexity of the target function.  ( 2 min )

To address the bias exhibited by machine learning models, fairness criteria impose statistical constraints for ensuring equal treatment to all demographic groups, but typically at a cost to model performance. Understanding this tradeoff, therefore, underlies the design of fair and effective algorithms. This paper completes the characterization of the inherent tradeoff of demographic parity on classification problems in the most general multigroup, multiclass, and noisy setting. Specifically, we show that the minimum error rate is given by the optimal value of a Wasserstein-barycenter problem. More practically, this reformulation leads to a simple procedure for post-processing any pre-trained predictors to satisfy demographic parity in the general setting, which, in particular, yields the optimal fair classifier when applied to the Bayes predictor. We provide suboptimality and finite sample analyses for our procedure, and demonstrate precise control of the tradeoff of error rate for fairness on real-world datasets provided sufficient data.  ( 2 min )

We study reinforcement learning with linear function approximation and adversarially changing cost functions, a setup that has mostly been considered under simplifying assumptions such as full information feedback or exploratory conditions.We present a computationally efficient policy optimization algorithm for the challenging general setting of unknown dynamics and bandit feedback, featuring a combination of mirror-descent and least squares policy evaluation in an auxiliary MDP used to compute exploration bonuses.Our algorithm obtains an $\widetilde O(K^{6/7})$ regret bound, improving significantly over previous state-of-the-art of $\widetilde O (K^{14/15})$ in this setting. In addition, we present a version of the same algorithm under the assumption a simulator of the environment is available to the learner (but otherwise no exploratory assumptions are made), and prove it obtains state-of-the-art regret of $\widetilde O (K^{2/3})$.  ( 2 min )

Personalized medicine, a paradigm of medicine tailored to a patient's characteristics, is an increasingly attractive field in health care. An important goal of personalized medicine is to identify a subgroup of patients, based on baseline covariates, that benefits more from the targeted treatment than other comparative treatments. Most of the current subgroup identification methods only focus on obtaining a subgroup with an enhanced treatment effect without paying attention to subgroup size. Yet, a clinically meaningful subgroup learning approach should identify the maximum number of patients who can benefit from the better treatment. In this paper, we present an optimal subgroup selection rule (SSR) that maximizes the number of selected patients, and in the meantime, achieves the pre-specified clinically meaningful mean outcome, such as the average treatment effect. We derive two equivalent theoretical forms of the optimal SSR based on the contrast function that describes the treatment-covariates interaction in the outcome. We further propose a ConstrAined PolIcy Tree seArch aLgorithm (CAPITAL) to find the optimal SSR within the interpretable decision tree class. The proposed method is flexible to handle multiple constraints that penalize the inclusion of patients with negative treatment effects, and to address time to event data using the restricted mean survival time as the clinically interesting mean outcome. Extensive simulations, comparison studies, and real data applications are conducted to demonstrate the validity and utility of our method.  ( 2 min )

Domain generalization (DG) seeks predictors which perform well on unseen test distributions by leveraging data drawn from multiple related training distributions or domains. To achieve this, DG is commonly formulated as an average- or worst-case problem over the set of possible domains. However, predictors that perform well on average lack robustness while predictors that perform well in the worst case tend to be overly-conservative. To address this, we propose a new probabilistic framework for DG where the goal is to learn predictors that perform well with high probability. Our key idea is that distribution shifts seen during training should inform us of probable shifts at test time, which we realize by explicitly relating training and test domains as draws from the same underlying meta-distribution. To achieve probable DG, we propose a new optimization problem called Quantile Risk Minimization (QRM). By minimizing the $\alpha$-quantile of predictor's risk distribution over domains, QRM seeks predictors that perform well with probability $\alpha$. To solve QRM in practice, we propose the Empirical QRM (EQRM) algorithm and provide: (i) a generalization bound for EQRM; and (ii) the conditions under which EQRM recovers the causal predictor as $\alpha \to 1$. In our experiments, we introduce a more holistic quantile-focused evaluation protocol for DG and demonstrate that EQRM outperforms state-of-the-art baselines on datasets from WILDS and DomainBed.  ( 2 min )

Many areas of science make extensive use of computer simulators that implicitly encode likelihood functions of complex systems. Classical statistical methods are poorly suited for these so-called likelihood-free inference (LFI) settings, particularly outside asymptotic and low-dimensional regimes. Although new machine learning methods, such as normalizing flows, have revolutionized the sample efficiency and capacity of LFI methods, it remains an open question whether they produce confidence sets with correct conditional coverage for small sample sizes. This paper unifies classical statistics with modern machine learning to present (i) a practical procedure for the Neyman construction of confidence sets with finite-sample guarantees of nominal coverage, and (ii) diagnostics that estimate conditional coverage over the entire parameter space. We refer to our framework as likelihood-free frequentist inference (LF2I). Any method that defines a test statistic, like the likelihood ratio, can leverage the LF2I machinery to create valid confidence sets and diagnostics without costly Monte Carlo samples at fixed parameter settings. We study the power of two test statistics (ACORE and BFF), which, respectively, maximize versus integrate an odds function over the parameter space. Our paper discusses the benefits and challenges of LF2I, with a breakdown of the sources of errors in LF2I confidence sets.  ( 2 min )

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework.  ( 2 min )

Solving high-dimensional partial differential equations is a recurrent challenge in economics, science and engineering. In recent years, a great number of computational approaches have been developed, most of them relying on a combination of Monte Carlo sampling and deep learning based approximation. For elliptic and parabolic problems, existing methods can broadly be classified into those resting on reformulations in terms of $\textit{backward stochastic differential equations}$ (BSDEs) and those aiming to minimize a regression-type $L^2$-error ($\textit{physics-informed neural networks}$, PINNs). In this paper, we review the literature and suggest a methodology based on the novel $\textit{diffusion loss}$ that interpolates between BSDEs and PINNs. Our contribution opens the door towards a unified understanding of numerical approaches for high-dimensional PDEs, as well as for implementations that combine the strengths of BSDEs and PINNs. The diffusion loss furthermore bears close similarities to $\textit{(least squares) temporal difference}$ objectives found in reinforcement learning. We also discuss eigenvalue problems and perform extensive numerical studies, including calculations of the ground state for nonlinear Schr\"odinger operators and committor functions relevant in molecular dynamics.  ( 2 min )

Generative flow networks (GFlowNets) are amortized variational inference algorithms that are trained to sample from unnormalized target distributions over compositional objects. A key limitation of GFlowNets until this time has been that they are restricted to discrete spaces. We present a theory for generalized GFlowNets, which encompasses both existing discrete GFlowNets and ones with continuous or hybrid state spaces, and perform experiments with two goals in mind. First, we illustrate critical points of the theory and the importance of various assumptions. Second, we empirically demonstrate how observations about discrete GFlowNets transfer to the continuous case and show strong results compared to non-GFlowNet baselines on several previously studied tasks. This work greatly widens the perspectives for the application of GFlowNets in probabilistic inference and various modeling settings.  ( 2 min )

Motivated by the success of Bayesian optimisation algorithms in the Euclidean space, we propose a novel approach to construct Intrinsic Bayesian optimisation (In-BO) on manifolds with a primary focus on complex constrained domains or irregular-shaped spaces arising as submanifolds of R2, R3 and beyond. Data may be collected in a spatial domain but restricted to a complex or intricately structured region corresponding to a geographic feature, such as lakes. Traditional Bayesian Optimisation (Tra-BO) defined with a Radial basis function (RBF) kernel cannot accommodate these complex constrained conditions. The In-BO uses the Sparse Intrinsic Gaussian Processes (SIn-GP) surrogate model to take into account the geometric structure of the manifold. SInGPs are constructed using the heat kernel of the manifold which is estimated as the transition density of the Brownian Motion on manifolds. The efficiency of In-BO is demonstrated through simulation studies on a U-shaped domain, a Bitten torus, and a real dataset from the Aral sea. Its performance is compared to that of traditional BO, which is defined in Euclidean space.  ( 2 min )

Learning decompositions of expensive-to-evaluate black-box functions promises to scale Bayesian optimisation (BO) to high-dimensional problems. However, the success of these techniques depends on finding proper decompositions that accurately represent the black-box. While previous works learn those decompositions based on data, we investigate data-independent decomposition sampling rules in this paper. We find that data-driven learners of decompositions can be easily misled towards local decompositions that do not hold globally across the search space. Then, we formally show that a random tree-based decomposition sampler exhibits favourable theoretical guarantees that effectively trade off maximal information gain and functional mismatch between the actual black-box and its surrogate as provided by the decomposition. Those results motivate the development of the random decomposition upper-confidence bound algorithm (RDUCB) that is straightforward to implement - (almost) plug-and-play - and, surprisingly, yields significant empirical gains compared to the previous state-of-the-art on a comprehensive set of benchmarks. We also confirm the plug-and-play nature of our modelling component by integrating our method with HEBO, showing improved practical gains in the highest dimensional tasks from Bayesmark.  ( 2 min )

Actor-critic algorithms address the dual goals of reinforcement learning, policy evaluation and improvement, via two separate function approximators. The practicality of this approach comes at the expense of training instability, caused mainly by the destructive effect of the approximation errors of the critic on the actor. We tackle this bottleneck by employing an existing Probably Approximately Correct (PAC) Bayesian bound for the first time as the critic training objective of the Soft Actor-Critic (SAC) algorithm. We further demonstrate that the online learning performance improves significantly when a stochastic actor explores multiple futures by critic-guided random search. We observe our resulting algorithm to compare favorably to the state of the art on multiple classical control and locomotion tasks in both sample efficiency and asymptotic performance.  ( 2 min )

Bagging is an important technique for stabilizing machine learning models. In this paper, we derive a finite-sample guarantee on the stability of bagging for any model with bounded outputs. Our result places no assumptions on the distribution of the data, on the properties of the base algorithm, or on the dimensionality of the covariates. Our guarantee applies to many variants of bagging and is optimal up to a constant.  ( 2 min )

We consider the problem of mixed linear regression (MLR), where each observed sample belongs to one of $K$ unknown linear models. In practical applications, the proportions of the $K$ components are often imbalanced. Unfortunately, most MLR methods do not perform well in such settings. Motivated by this practical challenge, in this work we propose Mix-IRLS, a novel, simple and fast algorithm for MLR with excellent performance on both balanced and imbalanced mixtures. In contrast to popular approaches that recover the $K$ models simultaneously, Mix-IRLS does it sequentially using tools from robust regression. Empirically, Mix-IRLS succeeds in a broad range of settings where other methods fail. These include imbalanced mixtures, small sample sizes, presence of outliers, and an unknown number of models $K$. In addition, Mix-IRLS outperforms competing methods on several real-world datasets, in some cases by a large margin. We complement our empirical results by deriving a recovery guarantee for Mix-IRLS, which highlights its advantage on imbalanced mixtures.  ( 2 min )

A compression function is a map that slims down an observational set into a subset of reduced size, while preserving its informational content. In multiple applications, the condition that one new observation makes the compressed set change is interpreted that this observation brings in extra information and, in learning theory, this corresponds to misclassification, or misprediction. In this paper, we lay the foundations of a new theory that allows one to keep control on the probability of change of compression (called the "risk"). We identify conditions under which the cardinality of the compressed set is a consistent estimator for the risk (without any upper limit on the size of the compressed set) and prove unprecedentedly tight bounds to evaluate the risk under a generally applicable condition of preference. All results are usable in a fully agnostic setup, without requiring any a priori knowledge on the probability distribution of the observations. Not only these results offer a valid support to develop trust in observation-driven methodologies, they also play a fundamental role in learning techniques as a tool for hyper-parameter tuning.  ( 2 min )

It is well known that accurate probabilistic predictors can be trained through empirical risk minimisation with proper scoring rules as loss functions. While such learners capture so-called aleatoric uncertainty of predictions, various machine learning methods have recently been developed with the goal to let the learner also represent its epistemic uncertainty, i.e., the uncertainty caused by a lack of knowledge and data. An emerging branch of the literature proposes the use of a second-order learner that provides predictions in terms of distributions on probability distributions. However, recent work has revealed serious theoretical shortcomings for second-order predictors based on loss minimisation. In this paper, we generalise these findings and prove a more fundamental result: There seems to be no loss function that provides an incentive for a second-order learner to faithfully represent its epistemic uncertainty in the same manner as proper scoring rules do for standard (first-order) learners. As a main mathematical tool to prove this result, we introduce the generalised notion of second-order scoring rules.  ( 2 min )

High-cardinality categorical features are pervasive in actuarial data (e.g. occupation in commercial property insurance). Standard categorical encoding methods like one-hot encoding are inadequate in these settings. In this work, we present a novel _Generalised Linear Mixed Model Neural Network_ ("GLMMNet") approach to the modelling of high-cardinality categorical features. The GLMMNet integrates a generalised linear mixed model in a deep learning framework, offering the predictive power of neural networks and the transparency of random effects estimates, the latter of which cannot be obtained from the entity embedding models. Further, its flexibility to deal with any distribution in the exponential dispersion (ED) family makes it widely applicable to many actuarial contexts and beyond. We illustrate and compare the GLMMNet against existing approaches in a range of simulation experiments as well as in a real-life insurance case study. Notably, we find that the GLMMNet often outperforms or at least performs comparably with an entity embedded neural network, while providing the additional benefit of transparency, which is particularly valuable in practical applications. Importantly, while our model was motivated by actuarial applications, it can have wider applicability. The GLMMNet would suit any applications that involve high-cardinality categorical variables and where the response cannot be sufficiently modelled by a Gaussian distribution.  ( 2 min )

In $\mathbb R^d$, it is well-known that cumulants provide an alternative to moments that can achieve the same goals with numerous benefits such as lower variance estimators. In this paper we extend cumulants to reproducing kernel Hilbert spaces (RKHS) using tools from tensor algebras and show that they are computationally tractable by a kernel trick. These kernelized cumulants provide a new set of all-purpose statistics; the classical maximum mean discrepancy and Hilbert-Schmidt independence criterion arise as the degree one objects in our general construction. We argue both theoretically and empirically (on synthetic, environmental, and traffic data analysis) that going beyond degree one has several advantages and can be achieved with the same computational complexity and minimal overhead in our experiments.  ( 2 min )

We study the implicit regularization of gradient descent towards structured sparsity via a novel neural reparameterization, which we call a diagonally grouped linear neural network. We show the following intriguing property of our reparameterization: gradient descent over the squared regression loss, without any explicit regularization, biases towards solutions with a group sparsity structure. In contrast to many existing works in understanding implicit regularization, we prove that our training trajectory cannot be simulated by mirror descent. We analyze the gradient dynamics of the corresponding regression problem in the general noise setting and obtain minimax-optimal error rates. Compared to existing bounds for implicit sparse regularization using diagonal linear networks, our analysis with the new reparameterization shows improved sample complexity. In the degenerate case of size-one groups, our approach gives rise to a new algorithm for sparse linear regression. Finally, we demonstrate the efficacy of our approach with several numerical experiments.  ( 2 min )

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating sufficient numbers of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves highly ineffective and time-consuming for the task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first provide a new insight on the majority-focused nature of the diffusion models: they denoise in favor of the majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating the low-likelihood minority samples over existing generative frameworks including the standard diffusion sampler.  ( 2 min )

This paper studies the expressive power of deep neural networks from the perspective of function compositions. We show that repeated compositions of a single fixed-size ReLU network can produce super expressive power. In particular, we prove by construction that $\mathcal{L}_2\circ \boldsymbol{g}^{\circ r}\circ \boldsymbol{\mathcal{L}}_1$ can approximate $1$-Lipschitz continuous functions on $[0,1]^d$ with an error $\mathcal{O}(r^{-1/d})$, where $\boldsymbol{g}$ is realized by a fixed-size ReLU network, $\boldsymbol{\mathcal{L}}_1$ and $\mathcal{L}_2$ are two affine linear maps matching the dimensions, and $\boldsymbol{g}^{\circ r}$ means the $r$-times composition of $\boldsymbol{g}$. Furthermore, we extend such a result to generic continuous functions on $[0,1]^d$ with the approximation error characterized by the modulus of continuity. Our results reveal that a continuous-depth network generated via a dynamical system has good approximation power even if its dynamics function is time-independent and realized by a fixed-size ReLU network.  ( 2 min )

LiDAR (Light Detection and Ranging) is an advanced active remote sensing technique working on the principle of time of travel (ToT) for capturing highly accurate 3D information of the surroundings. LiDAR has gained wide attention in research and development with the LiDAR industry expected to reach 2.8 billion $ by 2025. Although the LiDAR dataset is of rich density and high spatial resolution, it is challenging to process LiDAR data due to its inherent 3D geometry and massive volume. But such a high-resolution dataset possesses immense potential in many applications and has great potential in 3D object detection and recognition. In this research we propose Graph Neural Network (GNN) based framework to learn and identify the objects in the 3D LiDAR point clouds. GNNs are class of deep learning which learns the patterns and objects based on the principle of graph learning which have shown success in various 3D computer vision tasks.  ( 2 min )

In this paper, we study the problem of optimal data collection for policy evaluation in linear bandits. In policy evaluation, we are given a target policy and asked to estimate the expected cumulative reward it will obtain when executed in an environment formalized as a multi-armed bandit. In this paper, we focus on linear bandit setting with heteroscedastic reward noise. This is the first work that focuses on such an optimal data collection strategy for policy evaluation involving heteroscedastic reward noise in the linear bandit setting. We first formulate an optimal design for weighted least squares estimates in the heteroscedastic linear bandit setting that reduces the MSE of the target policy. We term this as policy-weighted least square estimation and use this formulation to derive the optimal behavior policy for data collection. We then propose a novel algorithm SPEED (Structured Policy Evaluation Experimental Design) that tracks the optimal behavior policy and derive its regret with respect to the optimal behavior policy. Finally, we empirically validate that SPEED leads to policy evaluation with mean squared error comparable to the oracle strategy and significantly lower than simply running the target policy.  ( 2 min )

Heterogeneity and comorbidity are two interwoven challenges associated with various healthcare problems that greatly hampered research on developing effective treatment and understanding of the underlying neurobiological mechanism. Very few studies have been conducted to investigate heterogeneous causal effects (HCEs) in graphical contexts due to the lack of statistical methods. To characterize this heterogeneity, we first conceptualize heterogeneous causal graphs (HCGs) by generalizing the causal graphical model with confounder-based interactions and multiple mediators. Such confounders with an interaction with the treatment are known as moderators. This allows us to flexibly produce HCGs given different moderators and explicitly characterize HCEs from the treatment or potential mediators on the outcome. We establish the theoretical forms of HCEs and derive their properties at the individual level in both linear and nonlinear models. An interactive structural learning is developed to estimate the complex HCGs and HCEs with confidence intervals provided. Our method is empirically justified by extensive simulations and its practical usefulness is illustrated by exploring causality among psychiatric disorders for trauma survivors.  ( 2 min )

The causal revolution has spurred interest in understanding complex relationships in various fields. Most existing methods aim to discover causal relationships among all variables in a large-scale complex graph. However, in practice, only a small number of variables in the graph are relevant for the outcomes of interest. As a result, causal estimation with the full causal graph -- especially given limited data -- could lead to many falsely discovered, spurious variables that may be highly correlated with but have no causal impact on the target outcome. In this paper, we propose to learn a class of necessary and sufficient causal graphs (NSCG) that only contains causally relevant variables for an outcome of interest, which we term causal features. The key idea is to utilize probabilities of causation to systematically evaluate the importance of features in the causal graph, allowing us to identify a subgraph that is relevant to the outcome of interest. To learn NSCG from data, we develop a score-based necessary and sufficient causal structural learning (NSCSL) algorithm, by establishing theoretical relationships between probabilities of causation and causal effects of features. Across empirical studies of simulated and real data, we show that the proposed NSCSL algorithm outperforms existing algorithms and can reveal important yeast genes for target heritable traits of interest.  ( 2 min )

We propose a novel, fully nonparametric approach for the multi-task learning, the Multi-task Highly Adaptive Lasso (MT-HAL). MT-HAL simultaneously learns features, samples and task associations important for the common model, while imposing a shared sparse structure among similar tasks. Given multiple tasks, our approach automatically finds a sparse sharing structure. The proposed MTL algorithm attains a powerful dimension-free convergence rate of $o_p(n^{-1/4})$ or better. We show that MT-HAL outperforms sparsity-based MTL competitors across a wide range of simulation studies, including settings with nonlinear and linear relationships, varying levels of sparsity and task correlations, and different numbers of covariates and sample size.  ( 2 min )

Model-based methods have recently shown great potential for off-policy evaluation (OPE); offline trajectories induced by behavioral policies are fitted to transitions of Markov decision processes (MDPs), which are used to rollout simulated trajectories and estimate the performance of policies. Model-based OPE methods face two key challenges. First, as offline trajectories are usually fixed, they tend to cover limited state and action space. Second, the performance of model-based methods can be sensitive to the initialization of their parameters. In this work, we propose the variational latent branching model (VLBM) to learn the transition function of MDPs by formulating the environmental dynamics as a compact latent space, from which the next states and rewards are then sampled. Specifically, VLBM leverages and extends the variational inference framework with the recurrent state alignment (RSA), which is designed to capture as much information underlying the limited training data, by smoothing out the information flow between the variational (encoding) and generative (decoding) part of VLBM. Moreover, we also introduce the branching architecture to improve the model's robustness against randomly initialized model weights. The effectiveness of the VLBM is evaluated on the deep OPE (DOPE) benchmark, from which the training trajectories are designed to result in varied coverage of the state-action space. We show that the VLBM outperforms existing state-of-the-art OPE methods in general.  ( 2 min )

Privacy-preserving distributed distribution comparison measures the distance between the distributions whose data are scattered across different agents in a distributed system and cannot be shared among the agents. In this study, we propose a novel decentralized entropic optimal transport (EOT) method, which provides a privacy-preserving and communication-efficient solution to this problem with theoretical guarantees. In particular, we design a mini-batch randomized block-coordinate descent (MRBCD) scheme to optimize the decentralized EOT distance in its dual form. The dual variables are scattered across different agents and updated locally and iteratively with limited communications among partial agents. The kernel matrix involved in the gradients of the dual variables is estimated by a distributed kernel approximation method, and each agent only needs to approximate and store a sub-kernel matrix by one-shot communication and without sharing raw data. We analyze our method's communication complexity and provide a theoretical bound for the approximation error caused by the convergence error, the approximated kernel, and the mismatch between the storage and communication protocols. Experiments on synthetic data and real-world distributed domain adaptation tasks demonstrate the effectiveness of our method.  ( 2 min )

Many existing reinforcement learning (RL) methods employ stochastic gradient iteration on the back end, whose stability hinges upon a hypothesis that the data-generating process mixes exponentially fast with a rate parameter that appears in the step-size selection. Unfortunately, this assumption is violated for large state spaces or settings with sparse rewards, and the mixing time is unknown, making the step size inoperable. In this work, we propose an RL methodology attuned to the mixing time by employing a multi-level Monte Carlo estimator for the critic, the actor, and the average reward embedded within an actor-critic (AC) algorithm. This method, which we call \textbf{M}ulti-level \textbf{A}ctor-\textbf{C}ritic (MAC), is developed especially for infinite-horizon average-reward settings and neither relies on oracle knowledge of the mixing time in its parameter selection nor assumes its exponential decay; it, therefore, is readily applicable to applications with slower mixing times. Nonetheless, it achieves a convergence rate comparable to the state-of-the-art AC algorithms. We experimentally show that these alleviated restrictions on the technical conditions required for stability translate to superior performance in practice for RL problems with sparse rewards.  ( 2 min )

Assortment optimization has received active explorations in the past few decades due to its practical importance. Despite the extensive literature dealing with optimization algorithms and latent score estimation, uncertainty quantification for the optimal assortment still needs to be explored and is of great practical significance. Instead of estimating and recovering the complete optimal offer set, decision makers may only be interested in testing whether a given property holds true for the optimal assortment, such as whether they should include several products of interest in the optimal set, or how many categories of products the optimal set should include. This paper proposes a novel inferential framework for testing such properties. We consider the widely adopted multinomial logit (MNL) model, where we assume that each customer will purchase an item within the offered products with a probability proportional to the underlying preference score associated with the product. We reduce inferring a general optimal assortment property to quantifying the uncertainty associated with the sign change point detection of the marginal revenue gaps. We show the asymptotic normality of the marginal revenue gap estimator, and construct a maximum statistic via the gap estimators to detect the sign change point. By approximating the distribution of the maximum statistic with multiplier bootstrap techniques, we propose a valid testing procedure. We also conduct numerical experiments to assess the performance of our method.  ( 2 min )

Recent success of large-scale Contrastive Language-Image Pre-training (CLIP) has led to great promise in zero-shot semantic segmentation by transferring image-text aligned knowledge to pixel-level classification. However, existing methods usually require an additional image encoder or retraining/tuning the CLIP module. Here, we present a cost-effective strategy using text-prompt learning that keeps the entire CLIP module frozen while fully leveraging its rich information. Specifically, we propose a novel Zero-shot segmentation with Optimal Transport (ZegOT) method that matches multiple text prompts with frozen image embeddings through optimal transport, which allows each text prompt to efficiently focus on specific semantic attributes. Additionally, we propose Deep Local Feature Alignment (DLFA) that deeply aligns the text prompts with intermediate local feature of the frozen image encoder layers, which significantly boosts the zero-shot segmentation performance. Through extensive experiments on benchmark datasets, we show that our method achieves the state-of-the-art (SOTA) performance with only x7 lighter parameters compared to previous SOTA approaches.  ( 2 min )

Directed Exploration is a crucial challenge in reinforcement learning (RL), especially when rewards are sparse. Information-directed sampling (IDS), which optimizes the information ratio, seeks to do so by augmenting regret with information gain. However, estimating information gain is computationally intractable or relies on restrictive assumptions which prohibit its use in many practical instances. In this work, we posit an alternative exploration incentive in terms of the integral probability metric (IPM) between a current estimate of the transition model and the unknown optimal, which under suitable conditions, can be computed in closed form with the kernelized Stein discrepancy (KSD). Based on KSD, we develop a novel algorithm STEERING: \textbf{STE}in information dir\textbf{E}cted exploration for model-based \textbf{R}einforcement Learn\textbf{ING}. To enable its derivation, we develop fundamentally new variants of KSD for discrete conditional distributions. We further establish that STEERING archives sublinear Bayesian regret, improving upon prior learning rates of information-augmented MBRL, IDS included. Experimentally, we show that the proposed algorithm is computationally affordable and outperforms several prior approaches.  ( 2 min )

Recent ODE/SDE-based generative models, such as diffusion models and flow matching, define a generative process as a time reversal of a fixed forward process. Even though these models show impressive performance on large-scale datasets, numerical simulation requires multiple evaluations of a neural network, leading to a slow sampling speed. We attribute the reason to the high curvature of the learned generative trajectories, as it is directly related to the truncation error of a numerical solver. Based on the relationship between the forward process and the curvature, here we present an efficient method of training the forward process to minimize the curvature of generative trajectories without any ODE/SDE simulation. Experiments show that our method achieves a lower curvature than previous models and, therefore, decreased sampling costs while maintaining competitive performance. Code is available at https://github.com/sangyun884/fast-ode.  ( 2 min )

Ridgelet transform has been a fundamental mathematical tool in the theoretical studies of neural networks. However, the practical applicability of ridgelet transform to conducting learning tasks was limited since its numerical implementation by conventional classical computation requires an exponential runtime $\exp(O(D))$ as data dimension $D$ increases. To address this problem, we develop a quantum ridgelet transform (QRT), which implements the ridgelet transform of a quantum state within a linear runtime $O(D)$ of quantum computation. As an application, we also show that one can use QRT as a fundamental subroutine for quantum machine learning (QML) to efficiently find a sparse trainable subnetwork of large shallow wide neural networks without conducting large-scale optimization of the original network. This application discovers an efficient way in this regime to demonstrate the lottery ticket hypothesis on finding such a sparse trainable neural network. These results open an avenue of QML for accelerating learning tasks with commonly used classical neural networks.  ( 2 min )

Should we care whether AI systems have representations of the world that are similar to those of humans? We provide an information-theoretic analysis that suggests that there should be a U-shaped relationship between the degree of representational alignment with humans and performance on few-shot learning tasks. We confirm this prediction empirically, finding such a relationship in an analysis of the performance of 491 computer vision models. We also show that highly-aligned models are more robust to both adversarial attacks and domain shifts. Our results suggest that human-alignment is often a sufficient, but not necessary, condition for models to make effective use of limited data, be robust, and generalize well.  ( 2 min )

We present a subset selection algorithm designed to work with arbitrary model families in a practical batch setting. In such a setting, an algorithm can sample examples one at a time but, in order to limit overhead costs, is only able to update its state (i.e. further train model weights) once a large enough batch of examples is selected. Our algorithm, IWeS, selects examples by importance sampling where the sampling probability assigned to each example is based on the entropy of models trained on previously selected batches. IWeS admits significant performance improvement compared to other subset selection algorithms for seven publicly available datasets. Additionally, it is competitive in an active learning setting, where the label information is not available at selection time. We also provide an initial theoretical analysis to support our importance weighting approach, proving generalization and sampling rate bounds.  ( 2 min )

This paper introduces a computational framework to reconstruct and forecast a partially observed state that evolves according to an unknown or expensive-to-simulate dynamical system. Our reduced-order autodifferentiable ensemble Kalman filters (ROAD-EnKFs) learn a latent low-dimensional surrogate model for the dynamics and a decoder that maps from the latent space to the state space. The learned dynamics and decoder are then used within an ensemble Kalman filter to reconstruct and forecast the state. Numerical experiments show that if the state dynamics exhibit a hidden low-dimensional structure, ROAD-EnKFs achieve higher accuracy at lower computational cost compared to existing methods. If such structure is not expressed in the latent state dynamics, ROAD-EnKFs achieve similar accuracy at lower cost, making them a promising approach for surrogate state reconstruction and forecasting.  ( 2 min )

Basically the title. I have a sequence of two papers - a viewpoint and a complete paper in the works - that I'm looking to submit, the viewpoint outlining the theoretical premise for the latter. I've currently had no luck finding any ML-specific journals that allow viewpoint submissions (with the exception of simply posting to arXiv), and was wondering if anyone here was familiar with any. Thanks :D submitted by /u/Adi-Dewan [link] [comments]  ( 42 min )

Openai is developing a new tool to help distinguish between AI-written and human-written text. Here is an unofficial python wrapper of openai model to detect if a text is written by #chatgpt , #gpt3 , #gpt etc Github: https://github.com/promptslab/openai-detector https://preview.redd.it/f45ggu45tgfa1.png?width=1122&format=png&auto=webp&s=4cb5ae70d7194cc3c070f3ad2dcbc968a804d4a3 submitted by /u/StoicBatman [link] [comments]  ( 42 min )

I am proud to announce the release of NoRefER, a multi-language referenceless ASR metric based on a fine-tuned language model, for public use on HuggingFace. This metric allows for evaluating the outputs of ASR models without needing a reference transcript, making it a valuable tool for a/b testing multiple ASR models or model versions, or even ensembling their outputs. ASR is an important technology with various applications, but the quality of ASR systems can vary greatly. It's important to accurately evaluate and compare the performance of different ASR models, traditionally done using reference-based ASR quality evaluation metrics. However, obtaining those ground-truth transcriptions from human annotators is time-consuming and costly. Referenceless quality evaluation is becoming impo…  ( 44 min )

https://www.youtube.com/watch?v=yvgxRzqx1Jg ​ Contents 00:00 Learning from Machine Learning Intro 00:21 Vincent Warmerdam Intro 01:18 Career Journey 03:25 What roles have you played? 05:44 Academic Background: Operations Research and Design 06:52 Operations Research 08:13 Mathematics 09:19 What attracted you to Machine Learning? 10:40 Calmcode 14:08 Calmcode, Do you use it? 15:22 Calmdcode, *args, **kwargs 16:23 If there were no constraints, what would you do to improve calmcode? 18:10 Open Source Projects: bulk, embetter, human-learn 19:10 Open Source: evol, scikit-lego 20:00 Rasa: Chatbots, Benchmarking 20:47 Unit Tests 21:42 Open Source: Creating Packages 24:10 Bulk, human-learn 26:20 27:03 Bulk in a notebook, bulk as a webapp 27:45 Human in the loop 29:03 Understanding the problem; Beans, Beef and Bread 32:56 Algorithm on the wrong problem 34:55 Module Improvement vs System Improvement 37:20 Does your answer make sense? 39:04 What's an important question that you believe remains unanswered in ML? 41:48 How do you view the gap between the hype and reality of AI? 46:28 Generative Models vs. Predictive Models 49:18 Jumping to solutions 50:08 Model vs. System 50:48 51:10 Who has influenced you in the field? 55:18 Humble, Caring Presenters 56:38 What's one piece of advice that you've received that's helped you? 01:00:18 Advice for people just starting in the field 01:03:15 What has a career in machine learning taught you about life? 01:05:16 SpaCy 01:06:10 Data-Centric Approach 01:06:50 Wrap-up 01:07:15 Follow, Explosion 01:07:48 Outro submitted by /u/NLPnerd [link] [comments]  ( 43 min )

Is it possible to finetune a generative model (like T5) to do something like this: { inputs: "XYZ XYZ was born in ABC. They now live in DEF.", targets: "XYZ born in ABC XYZ lives in DEF" } Like the transformer model fom this paper if so how should I go about approaching the problem? Is this task as simple as feeding it the inputs and targets or do you guys think it has more to it? submitted by /u/Zetsu-Eiyu-O [link] [comments]  ( 43 min )

What're some good open-source auto-ml services mainly for image classification that're similar to Google's Vertex-AI submitted by /u/binaryshrey [link] [comments]  ( 42 min )

Relying on hosted inference with LLMs in productions, such as via OpenAI API, has some challenges. The use of APIs should be designed around unstable latency, rate limits, token counts, costs, etc. To make it observable we've built tracing and monitoring specifically for AI apps. For example, the OpenAI Python library is monitored automatically, no need to do anything. We'll be adding support for more libraries. Here is a blog post with more info and screenshots: Monitor OpenAI API Latency, Tokens, Rate Limits, and More. And the GitHub repo. submitted by /u/l0g1cs [link] [comments]  ( 42 min )

Hi all, I'm trying to fine-tune Whisper AI to transcribe albanian speech to text but I have a problem in that I don't know how the dataset for training whisper model should look like. I already have voice audios and the transcript for that audio file but I need to know how to reformat it into a valid dataset for training Whisper. Thanks in advance! submitted by /u/ruizard [link] [comments]  ( 43 min )

This may be a silly question for those familiar with the field, but don't machine learning researchers expect any more prospects for traditional methods (I mean, "traditional" is other than deep learning)? I feel that most of the time when people talk about machine learning in the world today, they are referring to deep learning, but is this the same in the academic world? Have people who have been studying traditional methods switched to neural networks? I know that many researchers are excited about deep learning, but I am wondering what they think about other methods. submitted by /u/fujidaiti [link] [comments]  ( 52 min )

submitted by /u/oridnary_artist [link] [comments]  ( 40 min )

I was curious to know if there are any particular layers which could be contributing to gradients vanishing and these vanishing gradients cascading down to subsequent lower layers, how to find these layers and if there has been any research work done on it ? submitted by /u/V1bicycle [link] [comments]  ( 41 min )

Hello, hoping I can get a simple question answered. How are features selected for neural nets where each instance in time has too much data to take in? Let’s say a 4K movie is going to play and we want to know if the next 3 seconds will contain X. We also don’t have a computer strong enough to take in all data at all times. Let’s say 20% of data is maxing our system. I have watched a ton of videos about how layers work but how does the NN take samples to put those samples into its filter? Is it up to the programmer to find clever ways of filtering down the data into certain “indicators” or something? submitted by /u/Joebone87 [link] [comments]  ( 41 min )

Biologically plausible neural networks? So I'm wondering if you could possibly design ANN to simulate action potentials of neurons, and train them to do various tasks. I would hope that you can accurately simulate specific patterns of neural activity, when running a task. I'm sure this has already been done, but I'm wondering how big of a task it is to accomplish. Thanks! submitted by /u/daddydilly694-20 [link] [comments]  ( 42 min )

I'm developing a recurrent neural network in python using keras to do binary classification on roulette wheel data. I'm trying to compile my code but it's crashing, could you help me fix the code please? Here is my code from keras.models import Sequential from keras.layers import Dense, Dropout from sklearn.preprocessing import MinMaxScaler import numpy as np import pandas as pd columns = ['data', 'resultado'] base = pd.read_csv("blaze_values_27_01_2023_VERMELHO_1.csv", header = None, names = columns) base = base.dropna() base_treinamento = base.iloc[:, 1:2] normalizador = MinMaxScaler(feature_range=[0,1]) base_treinamento_normalizada = normalizador.fit_transform(base_treinamento) previsores = [] saida_real = [] for i in range (90,1809): previsores.append(base_treinamento_normalizada[i-9…  ( 42 min )

submitted by /u/oridnary_artist [link] [comments]  ( 40 min )

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Hello humans! A project is about to start (https://github.com/neuralshare) which will allow any device, even low-cpu, to use and interact with AI models that they could not use since they require so many hardware resources. The project is called NeuralShare and will use the Stellar network to achieve its goal, as you can read on the README on Github at the link on this post. More specifically, it will use the Futurenet network and to achieve its purpose it will use the NEUR token, also on Futurenet, which was already created a little while ago and has no real value, has no speculative objective but only has one purpose, namely that of the project. We plan to distribute this token as an airdrop, totally free of course, and anyone who has this token will be able to use and interact with GPT-3 or other AI models for free simply by sending a NEUR transaction with a text memo attached containing the prompt. In return you will receive back a transaction with a text memo containing the response. However, this will only be possible when there are enough nodes (go to github to understand why),the precise number of nodes that must be active before the response can be received is still to be defined . For more details and updates you can add yourself to Discord, find the links on the README file on GitHub, as well as more details on the functioning of this method which will also allow you to use GPT-3 for free and without an api-key submitted by /u/0ut0flin3 [link] [comments]  ( 43 min )

I do not even remember signing up for an AI newsletter but I got an issue today from “AINow” that was actually pretty insightful/informative. Thought I’d share it as I see frequent posts asking where ppl get their info/news from. Newsletter Here submitted by /u/iwjahshehbs [link] [comments]  ( 40 min )

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Lot of ok-ish voice cloning and conversion tools are available in market, but most have an American English tone to them. What are the opensource SOTA for voice conversion and/or voice cloning for the Indic languages ? submitted by /u/Maleficent_Suit1591 [link] [comments]  ( 40 min )

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I'm studying computer networking but I'm certain that AI can easily set up virtual networks and cloud computing solutions on their own. Should I have followed my dream to become a bricklayer? submitted by /u/black_linux_guy [link] [comments]  ( 41 min )

Does anybody know how people on Instagram and TikTok are creating these AI music videos? I see them everywhere but they gatekeep what ever they’re using. submitted by /u/mynameisbob1011 [link] [comments]  ( 40 min )

submitted by /u/Maleficent_Suit1591 [link] [comments]  ( 40 min )

Hello all! ​ I am new to this subreddit, but I have begun the fascinating descent into learning about all things AI and its ilk. I would like your help. ​ I want to turn on the firehose and consume all the content I can. ​ - What are your favorite news sources and media creators? ​ - How do you find the latest tools and research papers? ​ - How do you see where the conversation is going and stay updated with new opinions? ​ This would be incredibly helpful, and I hope I posted right. submitted by /u/WaffleHouseBaby [link] [comments]  ( 41 min )

Hi All -- I've been in IT for about 15 years. I started as a sysadmin, segued into dev work, and have been specializing in systems & data integration and business process automation for the past 5ish years. I also studied Computer Science for 4 years but never graduated (that's a whole other sobstory -- won't bore anyone with that) I've been considering the direction I want to go for the next leg of my career and I feel like AI/ML is the logical next step. I've started building a portfolio of my AI/ML projects and I'd like to pick up a cert or two to compliment them. My ultimate goal is solutions architecture, but I love the engineering side of things and expect to start there. What I want to know is what certifications everyone would recommend -- I've been eyeing the IBM-sponsored certificate tracks on Coursera but I've seen a few others and they all have their merits. I'm just not sure how much value they carry in the job market. Are there any worth staying well away from? submitted by /u/am_i_the_rabbit [link] [comments]  ( 41 min )

Soon we will have very powerful assistants.They can interact with databases directly.E.g. you ask for news articles from BBC.In the case of assistants they don't need human readable url.They can sql query database on 192.168.1.1 with ease.And then they present the data in appropriate format.And dht is just for discovery. submitted by /u/nikitastaf1996 [link] [comments]  ( 41 min )

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At DocuStack, our goal is to help organisations turn their internal knowledge into an answering bot, saving time and increasing efficiency for teams. If you're familiar with the challenges of managing internal knowledge and answering repetitive questions, I believe you will find DocuStack to be a valuable tool. With features such as a searchable database, customisable answers, multi-language support, and offline file upload capabilities, DocuStack makes it easy to manage your internal knowledge and provide quick, accurate answers to your team. Here is the link https://www.docustack.ai/chat This is our first launch of a wider product for customer support. would love to hear your thoughts and do not forget join the waitlist, if you would want to try the beta version. submitted by /u/titansaurabh [link] [comments]  ( 41 min )

Hello everyone. I'm passionate about AI and just computer science in general. I would like to participate in a Science and Engineering Fair, but I want to have an idea of what I'm going to do first. What can I do involving AI and do very well in the fair? If not AI, then computer science in general. Thank you submitted by /u/Sufficient-Ad-8881 [link] [comments]  ( 42 min )

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I’m doing RL on a problem where I learn 2 actions and my reward = action 1 - action 2. Since action 2 is getting subtracted, the agent learns to output 0.0 value for action 2 (action space for both the actions is between 0.0 and 0.1). Can someone please advice how can I make the agent explore non-zero values for action 2. submitted by /u/HonestScratch1827 [link] [comments]  ( 41 min )

I would like to invite interested people to collaborate on this hobby project of mine. This is still in an early-stage, and I believe it can be significantly improved together. The GitHub repository link is here: https://github.com/kayuksel/multi-rl-crowd-sim Note: The difference from StarCraft is that Dragons can hide behind each other. They also reduce their strength of hitting, propotional to decrease of their health. https://preview.redd.it/wrpcaz782dfa1.png?width=640&format=png&auto=webp&s=1dede69acb78e874a80bd532af85b269c7117f9f submitted by /u/k_yuksel [link] [comments]  ( 41 min )

Has anyone ever monitored the behavior of alpha in autotuned SAC ? I implemented it and it seems to work, but I would be interested in seeing a commented graph of the evolution of alpha during the learning process, and I could not find a contribution including this. submitted by /u/Scrimbibete [link] [comments]  ( 41 min )

Hi all, I'm training an Agent (to control a platform to maintain attitude) but I'm having problems understanding the following behavior: R = A - penalty I thought adding 1.0 would increase the cumulative reward but that's not the case. R1 = A - penalty + 1.0 R1 ends up being less than R. ​ In light of this, I multiplied penalty by 10 to see what happens: R2 = A - 10.0*penalty This, increases cumulative reward (R2 > R). ​ Note that 'A' and 'penalty' are always positive values. Any idea what this means (and how to go about shaping R)? submitted by /u/XecutionStyle [link] [comments]  ( 46 min )

Analyst reports. Academic papers. Ph.D. programs. There are a lot of places you can go to get a glimpse of the future. But the best place might just be El Coyote Cojo, a whiskey-soaked dive bar that doesn’t exist in real life. Fire up Cyberpunk 2077 and you’ll see much more than the watering hole’s Read article >  ( 6 min )

Broadcasters have an arsenal of new features and technologies at their disposal; the eighth-generation NVIDIA video encoder on RTX 40 Series GPUs with support for the open AV1 video-coding format; new NVIDIA Broadcast app effects like Eye Contact and Vignette; and support for AV1 streaming in Discord.  ( 7 min )

We’re launching a classifier trained to distinguish between AI-written and human-written text. We’ve trained a classifier to distinguish between text written by a human and text written by AIs from a variety of providers. While it is impossible to reliably detect all AI-written text, we believe  ( 3 min )

Announcements Data Models for the Weather With January coming to an end, we here in the Northeast let out a collective sigh of relief as the month ends without any major snowstorms that tend to happen in the first month of the year. Weather forecasting is a centuries-old practice that has its roots in divination… Read More »DSC Weekly 31 January 2023 – Data Models for the Weather The post DSC Weekly 31 January 2023 – Data Models for the Weather appeared first on Data Science Central.  ( 19 min )

I’m sure you’ve run into this situation yourself. You’re at a family gathering, and someone at the table asks you exactly what you do for a living. Maybe it’s your uncle, a grandparent, or a child. You try to describe in simple terms what you do, but they get a mystified expression on their face.… Read More »Explaining FAIR Data to Aunt Doris The post Explaining FAIR Data to Aunt Doris appeared first on Data Science Central.  ( 21 min )

Java has been a prevalent programming language. Even today, it remains one of the top three most-used languages for developing enterprise software. New cloud-native Java runtimes must provide developers with the following four significant benefits. It helps build cloud-native, microservices, and serverless Java applications: Traditional Java applications run as containers on hardware servers that control… Read More »Java in Cloud Native Environment: All You Need To Know The post Java in Cloud Native Environment: All You Need To Know appeared first on Data Science Central.  ( 20 min )

The National Institute of Standards and Technology (NIST) has released it’s Artificial Intelligence Risk Management Framework (AI RMF 1.0), a guidance document for voluntary use by organizations designing, developing, deploying, or using AI systems to help manage the many risks of AI technologies. The NIST AI Risk standards provide a practical and bipartisan perspective for… Read More »NIST Artificial Intelligence Risk Management Framework The post NIST Artificial Intelligence Risk Management Framework appeared first on Data Science Central.  ( 19 min )

In the previous article, we looked at two Ever-Successful NFL teams, the Kansas City Chiefs and the San Francisco 49ers, who seem to be able to win consistently even while things change around them and players and coaches come and go.  Then, we looked at two Never-Successful teams, the Arizona Cardinals and the Cleveland Browns,… Read More »Exploding vs. Imploding: What the NFL Has to Teach Us About Managing Agile Enterprises, Part II The post Exploding vs. Imploding: What the NFL Has to Teach Us About Managing Agile Enterprises, Part II appeared first on Data Science Central.  ( 26 min )

Suppose f(x) and g(x) are functions that are each proportional to their second derivative. These include exponential, circular, and hyperbolic functions. Then the integral of f(x) g(x) can be computed in closed form with a moderate amount of work. The first time you see how such integrals are computed, it’s an interesting trick. I wrote […] Avoid having to integrate by parts twice first appeared on John D. Cook.  ( 5 min )

The recent surge in popularity of diffusion models for image generation has brought new attention to the potential of these models in other areas of media synthesis. One area that has yet to be fully explored is the application of diffusion models to music generation. Music generation requires to handle multiple aspects, including the temporal dimension, long-term structure, multiple layers of overlapping sounds, and nuances that only trained listeners can detect. In our work, we investigate the potential of diffusion models for text-conditional music generation. We develop a cascading latent diffusion approach that can generate multiple minutes of high-quality stereo music at 48kHz from textual descriptions. For each model, we make an effort to maintain reasonable inference speed, targeting real-time on a single consumer GPU. In addition to trained models, we provide a collection of open-source libraries with the hope of facilitating future work in the field. We open-source the following: - Music samples for this paper: https://bit.ly/anonymous-mousai - All music samples for all models: https://bit.ly/audio-diffusion - Codes: https://github.com/archinetai/audio-diffusion-pytorch  ( 2 min )

Personalised federated learning (FL) aims at collaboratively learning a machine learning model taylored for each client. Albeit promising advances have been made in this direction, most of existing approaches works do not allow for uncertainty quantification which is crucial in many applications. In addition, personalisation in the cross-device setting still involves important issues, especially for new clients or those having small number of observations. This paper aims at filling these gaps. To this end, we propose a novel methodology coined FedPop by recasting personalised FL into the population modeling paradigm where clients' models involve fixed common population parameters and random effects, aiming at explaining data heterogeneity. To derive convergence guarantees for our scheme, we introduce a new class of federated stochastic optimisation algorithms which relies on Markov chain Monte Carlo methods. Compared to existing personalised FL methods, the proposed methodology has important benefits: it is robust to client drift, practical for inference on new clients, and above all, enables uncertainty quantification under mild computational and memory overheads. We provide non-asymptotic convergence guarantees for the proposed algorithms and illustrate their performances on various personalised federated learning tasks.  ( 2 min )

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the \textbf{exposure bias} problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that the proposed input perturbation leads to a significant improvement of the sample quality while reducing both the training and the inference times. For instance, on CelebA 64$\times$64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time.  ( 2 min )

Recent literature has shown that features obtained from supervised training of CNNs may over-emphasize texture rather than encoding high-level information. In self-supervised learning in particular, texture as a low-level cue may provide shortcuts that prevent the network from learning higher level representations. To address these problems we propose to use classic methods based on anisotropic diffusion to augment training using images with suppressed texture. This simple method helps retain important edge information and suppress texture at the same time. We empirically show that our method achieves state-of-the-art results on object detection and image classification with eight diverse datasets in either supervised or self-supervised learning tasks such as MoCoV2 and Jigsaw. Our method is particularly effective for transfer learning tasks and we observed improved performance on five standard transfer learning datasets. The large improvements (up to 11.49\%) on the Sketch-ImageNet dataset, DTD dataset and additional visual analyses with saliency maps suggest that our approach helps in learning better representations that better transfer.  ( 2 min )

Recently, graph neural networks (GNNs) have shown success at learning representations of brain graphs derived from functional magnetic resonance imaging (fMRI) data. The majority of existing GNN methods, however, assume brain graphs are static over time and the graph adjacency matrix is known prior to model training. These assumptions are at odds with neuroscientific evidence that brain graphs are time-varying with a connectivity structure that depends on the choice of functional connectivity measure. Noisy brain graphs that do not truly represent the underling fMRI data can have a detrimental impact on the performance of GNNs. As a solution, we propose Dynamic Brain Graph Structure Learning (DBGSL), a novel method for learning the optimal time-varying dependency structure of fMRI data induced by a downstream prediction task. Experiments demonstrate DBGSL achieves state-of-the-art performance for sex classification using real-world resting-state and task fMRI data. Moreover, analysis of the learnt dynamic graphs highlights prediction-related brain regions which align with existing neuroscience literature.  ( 2 min )

Learning a predictive model of the mean return, or value function, plays a critical role in many reinforcement learning algorithms. Distributional reinforcement learning (DRL) methods instead model the value distribution, which has been shown to improve performance in many settings. In this paper, we model the value distribution as approximately normal using the Markov Chain central limit theorem. We analytically compute quantile bars to provide a new DRL target that is informed by the decrease in standard deviation that occurs over the course of an episode. In addition, we propose a policy update strategy based on uncertainty as measured by structural characteristics of the value distribution not present in the standard value function. The approach we outline is compatible with many DRL structures. We use two representative on-policy algorithms, PPO and TRPO, as testbeds and show that our methods produce performance improvements in continuous control tasks.  ( 2 min )

How best to incorporate historical data to "warm start" bandit algorithms is an open question: naively initializing reward estimates using all historical samples can suffer from spurious data and imbalanced data coverage, leading to computational and storage issues $\unicode{x2014}$ particularly salient in continuous action spaces. We propose Artificial Replay, a meta-algorithm for incorporating historical data into any arbitrary base bandit algorithm. Artificial Replay uses only a fraction of the historical data compared to a full warm-start approach, while still achieving identical regret for base algorithms that satisfy independence of irrelevant data (IIData), a novel and broadly applicable property that we introduce. We complement these theoretical results with experiments on $K$-armed and continuous combinatorial bandit algorithms, including a green security domain using real poaching data. We show the practical benefits of Artificial Replay, including for base algorithms that do not satisfy IIData.  ( 2 min )

Deep neural networks (DNNs) have proven to be highly effective in a variety of tasks, making them the go-to method for problems requiring high-level predictive power. Despite this success, the inner workings of DNNs are often not transparent, making them difficult to interpret or understand. This lack of interpretability has led to increased research on inherently interpretable neural networks in recent years. Models such as Neural Additive Models (NAMs) achieve visual interpretability through the combination of classical statistical methods with DNNs. However, these approaches only concentrate on mean response predictions, leaving out other properties of the response distribution of the underlying data. We propose Neural Additive Models for Location Scale and Shape (NAMLSS), a modelling framework that combines the predictive power of classical deep learning models with the inherent advantages of distributional regression while maintaining the interpretability of additive models.  ( 2 min )

The classic Reinforcement Learning (RL) formulation concerns the maximization of a scalar reward function. More recently, convex RL has been introduced to extend the RL formulation to all the objectives that are convex functions of the state distribution induced by a policy. Notably, convex RL covers several relevant applications that do not fall into the scalar formulation, including imitation learning, risk-averse RL, and pure exploration. In classic RL, it is common to optimize an infinite trials objective, which accounts for the state distribution instead of the empirical state visitation frequencies, even though the actual number of trajectories is always finite in practice. This is theoretically sound since the infinite trials and finite trials objectives can be proved to coincide and thus lead to the same optimal policy. In this paper, we show that this hidden assumption does not hold in the convex RL setting. In particular, we show that erroneously optimizing the infinite trials objective in place of the actual finite trials one, as it is usually done, can lead to a significant approximation error. Since the finite trials setting is the default in both simulated and real-world RL, we believe shedding light on this issue will lead to better approaches and methodologies for convex RL, impacting relevant research areas such as imitation learning, risk-averse RL, and pure exploration among others.  ( 2 min )

Recent years have witnessed many successful applications of contrastive learning in diverse domains, yet its self-supervised version still remains many exciting challenges. As the negative samples are drawn from unlabeled datasets, a randomly selected sample may be actually a false negative to an anchor, leading to incorrect encoder training. This paper proposes a new self-supervised contrastive loss called the BCL loss that still uses random samples from the unlabeled data while correcting the resulting bias with importance weights. The key idea is to design the desired sampling distribution for sampling hard true negative samples under the Bayesian framework. The prominent advantage lies in that the desired sampling distribution is a parametric structure, with a location parameter for debiasing false negative and concentration parameter for mining hard negative, respectively. Experiments validate the effectiveness and superiority of the BCL loss.  ( 2 min )

Though anomaly detection (AD) can be viewed as a classification problem (nominal vs. anomalous) it is usually treated in an unsupervised manner since one typically does not have access to, or it is infeasible to utilize, a dataset that sufficiently characterizes what it means to be "anomalous." In this paper we present results demonstrating that this intuition surprisingly seems not to extend to deep AD on images. For a recent AD benchmark on ImageNet, classifiers trained to discern between normal samples and just a few (64) random natural images are able to outperform the current state of the art in deep AD. Experimentally we discover that the multiscale structure of image data makes example anomalies exceptionally informative.  ( 2 min )

Lifelong learning aims to create AI systems that continuously and incrementally learn during a lifetime, similar to biological learning. Attempts so far have met problems, including catastrophic forgetting, interference among tasks, and the inability to exploit previous knowledge. While considerable research has focused on learning multiple input distributions, typically in classification, lifelong reinforcement learning (LRL) must also deal with variations in the state and transition distributions, and in the reward functions. Modulating masks, recently developed for classification, are particularly suitable to deal with such a large spectrum of task variations. In this paper, we adapted modulating masks to work with deep LRL, specifically PPO and IMPALA agents. The comparison with LRL baselines in both discrete and continuous RL tasks shows superior performance. We further investigated the use of a linear combination of previously learned masks to exploit previous knowledge when learning new tasks: not only is learning faster, the algorithm solves tasks that we could not otherwise solve from scratch due to extremely sparse rewards. The results suggest that RL with modulating masks is a promising approach to lifelong learning, to the composition of knowledge to learn increasingly complex tasks, and to knowledge reuse for efficient and faster learning.  ( 2 min )

Stochastic versions of proximal methods have gained much attention in statistics and machine learning. These algorithms tend to admit simple, scalable forms, and enjoy numerical stability via implicit updates. In this work, we propose and analyze a stochastic version of the recently proposed proximal distance algorithm, a class of iterative optimization methods that recover a desired constrained estimation problem as a penalty parameter $\rho \rightarrow \infty$. By uncovering connections to related stochastic proximal methods and interpreting the penalty parameter as the learning rate, we justify heuristics used in practical manifestations of the proximal distance method, establishing their convergence guarantees for the first time. Moreover, we extend recent theoretical devices to establish finite error bounds and a complete characterization of convergence rates regimes. We validate our analysis via a thorough empirical study, also showing that unsurprisingly, the proposed method outpaces batch versions on popular learning tasks.  ( 2 min )

Although many methods have been proposed to estimate attributions of input variables, there still exists a significant theoretical flaw in masking-based attribution methods, i.e., it is hard to examine whether the masking method faithfully represents the absence of input variables. Specifically, for masking-based attributions, setting an input variable to the baseline value is a typical way of representing the absence of the variable. However, there are no studies investigating how to represent the absence of input variables and verify the faithfulness of baseline values. Therefore, we revisit the feature representation of a DNN in terms of causality, and propose to use causal patterns to examine whether the masking method faithfully removes information encoded in input variables. More crucially, it is proven that the causality can be explained as the elementary rationale of the Shapley value. Furthermore, we define the optimal baseline value from the perspective of causality, and we propose a method to learn the optimal baseline value. Experimental results have demonstrated the effectiveness of our method.  ( 2 min )

Behavioral cloning (BC) can recover a good policy from abundant expert data, but may fail when expert data is insufficient. This paper considers a situation where, besides the small amount of expert data, a supplementary dataset is available, which can be collected cheaply from sub-optimal policies. Imitation learning with a supplementary dataset is an emergent practical framework, but its theoretical foundation remains under-developed. To advance understanding, we first investigate a direct extension of BC, called NBCU, that learns from the union of all available data. Our analysis shows that, although NBCU suffers an imitation gap that is larger than BC in the worst case, there exist special cases where NBCU performs better than or equally well as BC. This discovery implies that noisy data can also be helpful if utilized elaborately. Therefore, we further introduce a discriminator-based importance sampling technique to re-weight the supplementary data, proposing the WBCU method. With our newly developed landscape-based analysis, we prove that WBCU can outperform BC in mild conditions. Empirical studies show that WBCU simultaneously achieves the best performance on two challenging tasks where prior state-of-the-art methods fail.  ( 2 min )

Recently, significant progress has been made regarding the statistical understanding of artificial neural networks (ANNs). ANNs are motivated by the functioning of the brain, but differ in several crucial aspects. In particular, it is biologically implausible that the learning of the brain is based on gradient descent. In this work we look at the brain as a statistical method for supervised learning. The main contribution is to relate the local updating rule of the connection parameters in biological neural networks (BNNs) to a zero-order optimization method.  ( 2 min )

The complexity of designing reward functions has been a major obstacle to the wide application of deep reinforcement learning (RL) techniques. Describing an agent's desired behaviors and properties can be difficult, even for experts. A new paradigm called reinforcement learning from human preferences (or preference-based RL) has emerged as a promising solution, in which reward functions are learned from human preference labels among behavior trajectories. However, existing methods for preference-based RL are limited by the need for accurate oracle preference labels. This paper addresses this limitation by developing a method for crowd-sourcing preference labels and learning from diverse human preferences. The key idea is to stabilize reward learning through regularization and correction in a latent space. To ensure temporal consistency, a strong constraint is imposed on the reward model that forces its latent space to be close to the prior distribution. Additionally, a confidence-based reward model ensembling method is designed to generate more stable and reliable predictions. The proposed method is tested on a variety of tasks in DMcontrol and Meta-world and has shown consistent and significant improvements over existing preference-based RL algorithms when learning from diverse feedback, paving the way for real-world applications of RL methods.  ( 2 min )

We present Myriad, a testbed written in JAX for learning and planning in real-world continuous environments. The primary contributions of Myriad are threefold. First, Myriad provides machine learning practitioners access to trajectory optimization techniques for application within a typical automatic differentiation workflow. Second, Myriad presents many real-world optimal control problems, ranging from biology to medicine to engineering, for use by the machine learning community. Formulated in continuous space and time, these environments retain some of the complexity of real-world systems often abstracted away by standard benchmarks. As such, Myriad strives to serve as a stepping stone towards application of modern machine learning techniques for impactful real-world tasks. Finally, we use the Myriad repository to showcase a novel approach for learning and control tasks. Trained in a fully end-to-end fashion, our model leverages an implicit planning module over neural ordinary differential equations, enabling simultaneous learning and planning with complex environment dynamics.

Explainability has become a central requirement for the development, deployment, and adoption of machine learning (ML) models and we are yet to understand what explanation methods can and cannot do. Several factors such as data, model prediction, hyperparameters used in training the model, and random initialization can all influence downstream explanations. While previous work empirically hinted that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we measure the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors (hyperparameters) (inputs to generate saliency-based Es or Ys). We discover that Y's relative direct influence on E follows an odd pattern; the influence is higher in the lowest-performing models than in mid-performing models, and it then decreases in the top-performing models. We believe our work is a promising first step towards providing better guidance for practitioners who can make more informed decisions in utilizing these explanations by knowing what factors are at play and how they relate to their end task.

Handling out-of-distribution (OOD) samples has become a major stake in the real-world deployment of machine learning systems. This work explores the application of self-supervised contrastive learning to the simultaneous detection of two types of OOD samples: unseen classes and adversarial perturbations. Since in practice the distribution of such samples is not known in advance, we do not assume access to OOD examples. We first show that similarity functions trained with contrastive learning can be leveraged with the maximum mean discrepancy (MMD) two-sample test to verify whether two independent sets of samples are drawn from the same distribution. Inspired by this approach, we introduce CADet (Contrastive Anomaly Detection), a method based on contrastive transformations to perform anomaly detection on single samples. CADet compares favorably to adversarial detection methods to detect adversarially perturbed samples on ImageNet. Simultaneously, it achieves comparable performance to unseen label detection methods on two challenging benchmarks: ImageNet-O and iNaturalist. CADet is fully self-supervised and requires neither labels for in-distribution samples nor access to OOD examples.

Foundation models are redefining how AI systems are built. Practitioners now follow a standard procedure to build their machine learning solutions: from a pre-trained foundation model, they fine-tune the weights on the target task of interest. So, the Internet is swarmed by a handful of foundation models fine-tuned on many diverse tasks: these individual fine-tunings exist in isolation without benefiting from each other. In our opinion, this is a missed opportunity, as these specialized models contain rich and diverse features. In this paper, we thus propose model ratatouille, a new strategy to recycle the multiple fine-tunings of the same foundation model on diverse auxiliary tasks. Specifically, we repurpose these auxiliary weights as initializations for multiple parallel fine-tunings on the target task; then, we average all fine-tuned weights to obtain the final model. This recycling strategy aims at maximizing the diversity in weights by leveraging the diversity in auxiliary tasks. Empirically, it improves the state of the art on the reference DomainBed benchmark for out-of-distribution generalization. Looking forward, this work contributes to the emerging paradigm of updatable machine learning where, akin to open-source software development, the community collaborates to reliably update machine learning models.

We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalized densities. The KSD is defined by its Stein operator: current operators used in testing apply to fixed-dimensional spaces. As our main contribution, we extend the KSD to the variable-dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalized, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.

Learning adversarial examples can be formulated as an optimization problem of maximizing the loss function with some box-constraints. However, for solving this induced optimization problem, the state-of-the-art gradient-based methods such as FGSM, I-FGSM and MI-FGSM look different from their original methods especially in updating the direction, which makes it difficult to understand them and then leaves some theoretical issues to be addressed in viewpoint of optimization. In this paper, from the perspective of adapting step-size, we provide a unified theoretical interpretation of these gradient-based adversarial learning methods. We show that each of these algorithms is in fact a specific reformulation of their original gradient methods but using the step-size rules with only current gradient information. Motivated by such analysis, we present a broad class of adaptive gradient-based algorithms based on the regular gradient methods, in which the step-size strategy utilizing information of the accumulated gradients is integrated. Such adaptive step-size strategies directly normalize the scale of the gradients rather than use some empirical operations. The important benefit is that convergence for the iterative algorithms is guaranteed and then the whole optimization process can be stabilized. The experiments demonstrate that our AdaI-FGM consistently outperforms I-FGSM and AdaMI-FGM remains competitive with MI-FGSM for black-box attacks.

Suppose there are $N$ units and $D$ interventions. We aim to learn the average potential outcome associated with every unit-intervention pair, i.e., $N \times D$ causal parameters. While running $N \times D$ experiments is conceivable, it can be expensive or infeasible. This work introduces an experiment design, synthetic A/B testing, and the synthetic interventions (SI) estimator to recover all $N \times D$ causal parameters while observing each unit under at most two interventions, independent of $D$. Under a novel tensor factor model for potential outcomes across units, measurements, and interventions, we establish the identification of each parameter. Further, we show the SI estimator is finite-sample consistent and asymptotically normal. Collectively, these also lead to novel results for panel data settings, particularly for synthetic controls. We empirically validate our experiment design using real e-commerce data from a large-scale A/B test.

Federated Learning (FL) has emerged as a promising framework for distributed training of AI-based services, applications, and network procedures in 6G. One of the major challenges affecting the performance and efficiency of 6G wireless FL systems is the massive scheduling of user devices over resource-constrained channels. In this work, we argue that the uplink scheduling of FL client devices is a problem with a rich relational structure. To address this challenge, we propose a novel, energy-efficient, and importance-aware metric for client scheduling in FL applications by leveraging Unsupervised Graph Representation Learning (UGRL). Our proposed approach introduces a relational inductive bias in the scheduling process and does not require the collection of training feedback information from client devices, unlike state-of-the-art importance-aware mechanisms. We evaluate our proposed solution against baseline scheduling algorithms based on recently proposed metrics in the literature. Results show that, when considering scenarios of nodes exhibiting spatial relations, our approach can achieve an average gain of up to 10% in model accuracy and up to 17 times in energy efficiency compared to state-of-the-art importance-aware policies.

Symbolic Regression (SR) can generate interpretable, concise expressions that fit a given dataset, allowing for more human understanding of the structure than black-box approaches. The addition of background knowledge (in the form of symbolic mathematical constraints) allows for the generation of expressions that are meaningful with respect to theory while also being consistent with data. We specifically examine the addition of constraints to traditional genetic algorithm (GA) based SR (PySR) as well as a Markov-chain Monte Carlo (MCMC) based Bayesian SR architecture (Bayesian Machine Scientist), and apply these to rediscovering adsorption equations from experimental, historical datasets. We find that, while hard constraints prevent GA and MCMC SR from searching, soft constraints can lead to improved performance both in terms of search effectiveness and model meaningfulness, with computational costs increasing by about an order-of-magnitude. If the constraints do not correlate well with the dataset or expected models, they can hinder the search of expressions. We find Bayesian SR is better these constraints (as the Bayesian prior) than by modifying the fitness function in the GA

Nonlinear inter-modality registration is often challenging due to the lack of objective functions that are good proxies for alignment. Here we propose a synthesis-by-registration method to convert this problem into an easier intra-modality task. We introduce a registration loss for weakly supervised image translation between domains that does not require perfectly aligned training data. This loss capitalises on a registration U-Net with frozen weights, to drive a synthesis CNN towards the desired translation. We complement this loss with a structure preserving constraint based on contrastive learning, which prevents blurring and content shifts due to overfitting. We apply this method to the registration of histological sections to MRI slices, a key step in 3D histology reconstruction. Results on two different public datasets show improvements over registration based on mutual information (13% reduction in landmark error) and synthesis-based algorithms such as CycleGAN (11% reduction), and are comparable to a registration CNN with label supervision. Code and data are publicly available at \url{https://github.com/acasamitjana/SynthByReg}

The completeness axiom renders the explanation of a post-hoc XAI method only locally faithful to the model, i.e. for a single decision. For the trustworthy application of XAI, in particular for high-stake decisions, a more global model understanding is required. Recently, concept-based methods have been proposed, which are however not guaranteed to be bound to the actual model reasoning. To circumvent this problem, we propose Multi-dimensional Concept Discovery (MCD) as an extension of previous approaches that fulfills a completeness relation on the level of concepts. Our method starts from general linear subspaces as concepts and does neither require reinforcing concept interpretability nor re-training of model parts. We propose sparse subspace clustering to discover improved concepts and fully leverage the potential of multi-dimensional subspaces. MCD offers two complementary analysis tools for concepts in input space: (1) concept activation maps, that show where a concept is expressed within a sample, allowing for concept characterization through prototypical samples, and (2) concept relevance heatmaps, that decompose the model decision into concept contributions. Both tools together enable a detailed understanding of the model reasoning, which is guaranteed to relate to the model via a completeness relation. This paves the way towards more trustworthy concept-based XAI. We empirically demonstrate the superiority of MCD against more constrained concept definitions.

Modern mobile devices have access to a wealth of data suitable for learning models, which in turn can greatly improve the user experience on the device. For example, language models can improve speech recognition and text entry, and image models can automatically select good photos. However, this rich data is often privacy sensitive, large in quantity, or both, which may preclude logging to the data center and training there using conventional approaches. We advocate an alternative that leaves the training data distributed on the mobile devices, and learns a shared model by aggregating locally-computed updates. We term this decentralized approach Federated Learning. We present a practical method for the federated learning of deep networks based on iterative model averaging, and conduct an extensive empirical evaluation, considering five different model architectures and four datasets. These experiments demonstrate the approach is robust to the unbalanced and non-IID data distributions that are a defining characteristic of this setting. Communication costs are the principal constraint, and we show a reduction in required communication rounds by 10-100x as compared to synchronized stochastic gradient descent.

Occlusion is a prevalent and easily realizable semantic perturbation to deep neural networks (DNNs). It can fool a DNN into misclassifying an input image by occluding some segments, possibly resulting in severe errors. Therefore, DNNs planted in safety-critical systems should be verified to be robust against occlusions prior to deployment. However, most existing robustness verification approaches for DNNs are focused on non-semantic perturbations and are not suited to the occlusion case. In this paper, we propose the first efficient, SMT-based approach for formally verifying the occlusion robustness of DNNs. We formulate the occlusion robustness verification problem and prove it is NP-complete. Then, we devise a novel approach for encoding occlusions as a part of neural networks and introduce two acceleration techniques so that the extended neural networks can be efficiently verified using off-the-shelf, SMT-based neural network verification tools. We implement our approach in a prototype called OccRob and extensively evaluate its performance on benchmark datasets with various occlusion variants. The experimental results demonstrate our approach's effectiveness and efficiency in verifying DNNs' robustness against various occlusions, and its ability to generate counterexamples when these DNNs are not robust.

Large models support great zero-shot and few-shot capabilities. However, updating these models on new tasks can break performance on previous seen tasks and their zero/few-shot unseen tasks. Our work explores how to update zero/few-shot learners such that they can maintain performance on seen/unseen tasks of previous tasks as well as new tasks. By manipulating the parameter updates of a gradient-based meta learner as the projected task-specific subnetworks, we show improvements for large models to retain seen and zero/few shot task performance in online settings.

Despite rapid advancements in lifelong learning (LLL) research, a large body of research mainly focuses on improving the performance in the existing \textit{static} continual learning (CL) setups. These methods lack the ability to succeed in a rapidly changing \textit{dynamic} environment, where an AI agent needs to quickly learn new instances in a `single pass' from the non-i.i.d (also possibly temporally contiguous/coherent) data streams without suffering from catastrophic forgetting. For practical applicability, we propose a novel lifelong learning approach, which is streaming, i.e., a single input sample arrives in each time step, single pass, class-incremental, and subject to be evaluated at any moment. To address this challenging setup and various evaluation protocols, we propose a Bayesian framework, that enables fast parameter update, given a single training example, and enables any-time inference. We additionally propose an implicit regularizer in the form of snap-shot self-distillation, which effectively minimizes the forgetting further. We further propose an effective method that efficiently selects a subset of samples for online memory rehearsal and employs a new replay buffer management scheme that significantly boosts the overall performance. Our empirical evaluations and ablations demonstrate that the proposed method outperforms the prior works by large margins.

Spatiotemporal learning, which aims at extracting spatiotemporal correlations from the collected spatiotemporal data, is a research hotspot in recent years. And considering the inherent graph structure of spatiotemporal data, recent works focus on capturing spatial dependencies by utilizing Graph Convolutional Networks (GCNs) to aggregate vertex features with the guidance of adjacency matrices. In this paper, with extensive and deep-going experiments, we comprehensively analyze existing spatiotemporal graph learning models and reveal that extracting adjacency matrices with carefully design strategies, which are viewed as the key of enhancing performance on graph learning, are largely ineffective. Meanwhile, based on these experiments, we also discover that the aggregation itself is more important than the way that how vertices are aggregated. With these preliminary, a novel efficient Graph-Free Spatial (GFS) learning module based on layer normalization for capturing spatial correlations in spatiotemporal graph learning. The proposed GFS module can be easily plugged into existing models for replacing all graph convolution components. Rigorous theoretical proof demonstrates that the time complexity of GFS is significantly better than that of graph convolution operation. Extensive experiments verify the superiority of GFS in both the perspectives of efficiency and learning effect in processing graph-structured data especially extreme large scale graph data.  ( 2 min )

In real-world data labeling applications, annotators often provide imperfect labels. It is thus common to employ multiple annotators to label data with some overlap between their examples. We study active learning in such settings, aiming to train an accurate classifier by collecting a dataset with the fewest total annotations. Here we propose ActiveLab, a practical method to decide what to label next that works with any classifier model and can be used in pool-based batch active learning with one or multiple annotators. ActiveLab automatically estimates when it is more informative to re-label examples vs. labeling entirely new ones. This is a key aspect of producing high quality labels and trained models within a limited annotation budget. In experiments on image and tabular data, ActiveLab reliably trains more accurate classifiers with far fewer annotations than a wide variety of popular active learning methods.

Fundamental differences between materials originate from the unique nature of their constituent chemical elements. Before specific differences emerge according to the precise ratios of elements in a given crystal structure, a material can be represented by the set of its constituent chemical elements. By working at the level of the periodic table, assessment of materials at the level of their phase fields reduces the combinatorial complexity to accelerate screening, and circumvents the challenges associated with composition-level approaches such as poor extrapolation within phase fields, and the impossibility of exhaustive sampling. This early stage discrimination combined with evaluation of novelty of phase fields aligns with the outstanding experimental challenge of identifying new areas of chemistry to investigate, by prioritising which elements to combine in a reaction. Here, we demonstrate that phase fields can be assessed with respect to the maximum expected value of a target functional property and ranked according to chemical novelty. We develop and present PhaseSelect, an end-to-end machine learning model that combines the representation, classification, regression and ranking of phase fields. First, PhaseSelect constructs elemental characteristics from the co-occurrence of chemical elements in computationally and experimentally reported materials, then it employs attention mechanisms to learn representation for phase fields and assess their functional performance. At the level of the periodic table, PhaseSelect quantifies the probability of observing a functional property, estimates its value within a phase field and also ranks a phase field novelty, which we demonstrate with significant accuracy for three avenues of materials applications for high-temperature superconductivity, high-temperature magnetism, and targeted bandgap energy.

The sustained growth of carbon emissions and global waste elicits significant sustainability concerns for our environment's future. The growing Internet of Things (IoT) has the potential to exacerbate this issue. However, an emerging area known as Tiny Machine Learning (TinyML) has the opportunity to help address these environmental challenges through sustainable computing practices. TinyML, the deployment of machine learning (ML) algorithms onto low-cost, low-power microcontroller systems, enables on-device sensor analytics that unlocks numerous always-on ML applications. This article discusses the potential of these TinyML applications to address critical sustainability challenges. Moreover, the footprint of this emerging technology is assessed through a complete life cycle analysis of TinyML systems. From this analysis, TinyML presents opportunities to offset its carbon emissions by enabling applications that reduce the emissions of other sectors. Nevertheless, when globally scaled, the carbon footprint of TinyML systems is not negligible, necessitating that designers factor in environmental impact when formulating new devices. Finally, research directions for enabling further opportunities for TinyML to contribute to a sustainable future are outlined.

Many deep learning applications benefit from using large models with billions of parameters. Training these models is notoriously expensive due to the need for specialized HPC clusters. In this work, we consider alternative setups for training large models: using cheap "preemptible" instances or pooling existing resources from multiple regions. We analyze the performance of existing model-parallel algorithms in these conditions and find configurations where training larger models becomes less communication-intensive. Based on these findings, we propose SWARM parallelism, a model-parallel training algorithm designed for poorly connected, heterogeneous and unreliable devices. SWARM creates temporary randomized pipelines between nodes that are rebalanced in case of failure. We empirically validate our findings and compare SWARM parallelism with existing large-scale training approaches. Finally, we combine our insights with compression strategies to train a large Transformer language model with 1B shared parameters (approximately 13B before sharing) on preemptible T4 GPUs with less than 200Mb/s network.

Large-scale AI systems that combine search and learning have reached super-human levels of performance in game-playing, but have also been shown to fail in surprising ways. The brittleness of such models limits their efficacy and trustworthiness in real-world deployments. In this work, we systematically study one such algorithm, AlphaZero, and identify two phenomena related to the nature of exploration. First, we find evidence of policy-value misalignment -- for many states, AlphaZero's policy and value predictions contradict each other, revealing a tension between accurate move-selection and value estimation in AlphaZero's objective. Further, we find inconsistency within AlphaZero's value function, which causes it to generalize poorly, despite its policy playing an optimal strategy. From these insights we derive VISA-VIS: a novel method that improves policy-value alignment and value robustness in AlphaZero. Experimentally, we show that our method reduces policy-value misalignment by up to 76%, reduces value generalization error by up to 50%, and reduces average value error by up to 55%.

Automatic modulation classification is a desired feature in many modern software-defined radios. In recent years, a number of convolutional deep learning architectures have been proposed for automatically classifying the modulation used on observed signal bursts. However, a comprehensive analysis of these differing architectures and importance of each design element has not been carried out. Thus it is unclear what tradeoffs the differing designs of these convolutional neural networks might have. In this research, we investigate numerous architectures for automatic modulation classification and perform a comprehensive ablation study to investigate the impacts of varying hyperparameters and design elements on automatic modulation classification performance. We show that a new state of the art in performance can be achieved using a subset of the studied design elements. In particular, we show that a combination of dilated convolutions, statistics pooling, and squeeze-and-excitation units results in the strongest performing classifier. We further investigate this best performer according to various other criteria, including short signal bursts, common misclassifications, and performance across differing modulation categories and modes.  ( 2 min )

Early stopping based on hold-out data is a popular regularization technique designed to mitigate overfitting and increase the predictive accuracy of neural networks. Models trained with early stopping often provide relatively accurate predictions, but they generally still lack precise statistical guarantees unless they are further calibrated using independent hold-out data. This paper addresses the above limitation with conformalized early stopping: a novel method that combines early stopping with conformal calibration while efficiently recycling the same hold-out data. This leads to models that are both accurate and able to provide exact predictive inferences without multiple data splits nor overly conservative adjustments. Practical implementations are developed for different learning tasks -- outlier detection, multi-class classification, regression -- and their competitive performance is demonstrated on real data.

We examine the problem of obtaining fair outcomes for individuals who choose to share optional information with machine-learned models and those who do not consent and keep their data undisclosed. We find that these non-consenting users receive significantly lower prediction outcomes than justified by their provided information alone. This observation gives rise to the overlooked problem of how to ensure that users, who protect their personal data, are not penalized. While statistical fairness notions focus on fair outcomes between advantaged and disadvantaged groups, these fairness notions fail to protect the non-consenting users. To address this problem, we formalize protection requirements for models which (i) allow users to benefit from sharing optional information and (ii) do not penalize them if they keep their data undisclosed. We offer the first solution to this problem by proposing the notion of Optional Feature Fairness (OFF), which we prove to be loss-optimal under our protection requirements (i) and (ii). To learn OFF-compliant models, we devise a model-agnostic data augmentation strategy with finite sample convergence guarantees. Finally, we extensively analyze OFF on a variety of challenging real-world tasks, models, and data sets with multiple optional features.

Machine learning (ML) models can underperform on certain population groups due to choices made during model development and bias inherent in the data. We categorize sources of discrimination in the ML pipeline into two classes: aleatoric discrimination, which is inherent in the data distribution, and epistemic discrimination, which is due to decisions during model development. We quantify aleatoric discrimination by determining the performance limits of a model under fairness constraints, assuming perfect knowledge of the data distribution. We demonstrate how to characterize aleatoric discrimination by applying Blackwell's results on comparing statistical experiments. We then quantify epistemic discrimination as the gap between a model's accuracy given fairness constraints and the limit posed by aleatoric discrimination. We apply this approach to benchmark existing interventions and investigate fairness risks in data with missing values. Our results indicate that state-of-the-art fairness interventions are effective at removing epistemic discrimination. However, when data has missing values, there is still significant room for improvement in handling aleatoric discrimination.  ( 2 min )

Supervised learning typically optimizes the expected value risk functional of the loss, but in many cases, we want to optimize for other risk functionals. In full-batch gradient descent, this is done by taking gradients of a risk functional of interest, such as the Conditional Value at Risk (CVaR) which ignores some quantile of extreme losses. However, deep learning must almost always use mini-batch gradient descent, and lack of unbiased estimators of various risk functionals make the right optimization procedure unclear. In this work, we introduce a meta-learning-based method of learning an interpretable mini-batch risk functional during model training, in a single shot. When optimizing for various risk functionals, the learned mini-batch risk functions lead to risk reduction of up to 10% over hand-engineered mini-batch risk functionals. Then in a setting where the right risk functional is unknown a priori, our method improves over baseline by 14% relative (~9% absolute). We analyze the learned mini-batch risk functionals at different points through training, and find that they learn a curriculum (including warm-up periods), and that their final form can be surprisingly different from the underlying risk functional that they optimize for.

Standard neural networks struggle to generalize under distribution shifts in computer vision. Fortunately, combining multiple networks can consistently improve out-of-distribution generalization. In particular, weight averaging (WA) strategies were shown to perform best on the competitive DomainBed benchmark; they directly average the weights of multiple networks despite their nonlinearities. In this paper, we propose Diverse Weight Averaging (DiWA), a new WA strategy whose main motivation is to increase the functional diversity across averaged models. To this end, DiWA averages weights obtained from several independent training runs: indeed, models obtained from different runs are more diverse than those collected along a single run thanks to differences in hyperparameters and training procedures. We motivate the need for diversity by a new bias-variance-covariance-locality decomposition of the expected error, exploiting similarities between WA and standard functional ensembling. Moreover, this decomposition highlights that WA succeeds when the variance term dominates, which we show occurs when the marginal distribution changes at test time. Experimentally, DiWA consistently improves the state of the art on DomainBed without inference overhead.

Self-Supervised Learning (SSL) methods operate on unlabeled data to learn robust representations useful for downstream tasks. Most SSL methods rely on augmentations obtained by transforming the 2D image pixel map. These augmentations ignore the fact that biological vision takes place in an immersive three-dimensional, temporally contiguous environment, and that low-level biological vision relies heavily on depth cues. Using a signal provided by a pretrained state-of-the-art monocular RGB-to-depth model (the \emph{Depth Prediction Transformer}, Ranftl et al., 2021), we explore two distinct approaches to incorporating depth signals into the SSL framework. First, we evaluate contrastive learning using an RGB+depth input representation. Second, we use the depth signal to generate novel views from slightly different camera positions, thereby producing a 3D augmentation for contrastive learning. We evaluate these two approaches on three different SSL methods -- BYOL, SimSiam, and SwAV -- using ImageNette (10 class subset of ImageNet), ImageNet-100 and ImageNet-1k datasets. We find that both approaches to incorporating depth signals improve the robustness and generalization of the baseline SSL methods, though the first approach (with depth-channel concatenation) is superior. For instance, BYOL with the additional depth channel leads to an increase in downstream classification accuracy from 85.3\% to 88.0\% on ImageNette and 84.1\% to 87.0\% on ImageNet-C.

We propose a Gaussian manifold variational auto-encoder (GM-VAE) whose latent space consists of a set of Gaussian distributions. It is known that the set of the univariate Gaussian distributions with the Fisher information metric form a hyperbolic space, which we call a Gaussian manifold. To learn the VAE endowed with the Gaussian manifolds, we propose a pseudo-Gaussian manifold normal distribution based on the Kullback-Leibler divergence, a local approximation of the squared Fisher-Rao distance, to define a density over the latent space. In experiments, we demonstrate the efficacy of GM-VAE on two different tasks: density estimation of image datasets and environment modeling in model-based reinforcement learning. GM-VAE outperforms the other variants of hyperbolic- and Euclidean-VAEs on density estimation tasks and shows competitive performance in model-based reinforcement learning. We observe that our model provides strong numerical stability, addressing a common limitation reported in previous hyperbolic-VAEs.

Bayesian model comparison (BMC) offers a principled approach for assessing the relative merits of competing computational models and propagating uncertainty into model selection decisions. However, BMC is often intractable for the popular class of hierarchical models due to their high-dimensional nested parameter structure. To address this intractability, we propose a deep learning method for performing BMC on any set of hierarchical models which can be instantiated as probabilistic programs. Since our method enables amortized inference, it allows efficient re-estimation of posterior model probabilities and fast performance validation prior to any real-data application. In a series of extensive validation studies, we benchmark the performance of our method against the state-of-the-art bridge sampling method and demonstrate excellent amortized inference across all BMC settings. We then use our method to compare four hierarchical evidence accumulation models that have previously been deemed intractable for BMC due to partly implicit likelihoods. In this application, we corroborate evidence for the recently proposed L\'evy flight model of decision-making and show how transfer learning can be leveraged to enhance training efficiency. Reproducible code for all analyses is provided.

In the sequential decision making setting, an agent aims to achieve systematic generalization over a large, possibly infinite, set of environments. Such environments are modeled as discrete Markov decision processes with both states and actions represented through a feature vector. The underlying structure of the environments allows the transition dynamics to be factored into two components: one that is environment-specific and another that is shared. Consider a set of environments that share the laws of motion as an example. In this setting, the agent can take a finite amount of reward-free interactions from a subset of these environments. The agent then must be able to approximately solve any planning task defined over any environment in the original set, relying on the above interactions only. Can we design a provably efficient algorithm that achieves this ambitious goal of systematic generalization? In this paper, we give a partially positive answer to this question. First, we provide a tractable formulation of systematic generalization by employing a causal viewpoint. Then, under specific structural assumptions, we provide a simple learning algorithm that guarantees any desired planning error up to an unavoidable sub-optimality term, while showcasing a polynomial sample complexity.

The rapid development of diagnostic technologies in healthcare is leading to higher requirements for physicians to handle and integrate the heterogeneous, yet complementary data that are produced during routine practice. For instance, the personalized diagnosis and treatment planning for a single cancer patient relies on the various images (e.g., radiological, pathological, and camera images) and non-image data (e.g., clinical data and genomic data). However, such decision-making procedures can be subjective, qualitative, and have large inter-subject variabilities. With the recent advances in multi-modal deep learning technologies, an increasingly large number of efforts have been devoted to a key question: how do we extract and aggregate multi-modal information to ultimately provide more objective, quantitative computer-aided clinical decision making? This paper reviews the recent studies on dealing with such a question. Briefly, this review will include the (1) overview of current multi-modal learning workflows, (2) summarization of multi-modal fusion methods, (3) discussion of the performance, (4) applications in disease diagnosis and prognosis, and (5) challenges and future directions.

We study constrained clustering, where constraints guide the clustering process. In existing works, two categories of constraints have been widely explored, namely pairwise and cardinality constraints. Pairwise constraints enforce the cluster labels of two instances to be the same (must-link constraints) or different (cannot-link constraints). Cardinality constraints encourage cluster sizes to satisfy a user-specified distribution. Most existing constrained clustering models can only utilize one category of constraints at a time. We enforce the above two categories into a unified clustering model starting with the integer program formulation of the standard K-means. As the two categories provide different useful information, utilizing both allow for better clustering performance. However, the optimization is difficult due to the binary and quadratic constraints in the unified formulation. To solve this, we utilize two techniques: equivalently replacing the binary constraints by the intersection of two continuous constraints; the other is transforming the quadratic constraints into bi-linear constraints by introducing extra variables. We derive an equivalent continuous reformulation with simple constraints, which can be efficiently solved by Alternating Direction Method of Multipliers. Extensive experiments on both synthetic and real data demonstrate when: (1) utilizing a single category of constraint, the proposed model is superior to or competitive with SOTA constrained clustering models, and (2) utilizing both categories of constraints jointly, the proposed model shows better performance than the case of the single category. The experiments show that the proposed method exploits the constraints to achieve perfect clustering performance with improved clustering to 2%-5% in classical clustering metrics, e.g. Adjusted Random, Mirkin's, and Huber's, indices outerperfomring other methods.

Conventional survival analysis methods are typically ineffective to characterize heterogeneity in the population while such information can be used to assist predictive modeling. In this study, we propose a hybrid survival analysis method, referred to as deep clustering survival machines, that combines the discriminative and generative mechanisms. Similar to the mixture models, we assume that the timing information of survival data is generatively described by a mixture of certain numbers of parametric distributions, i.e., expert distributions. We learn weights of the expert distributions for individual instances according to their features discriminatively such that each instance's survival information can be characterized by a weighted combination of the learned constant expert distributions. This method also facilitates interpretable subgrouping/clustering of all instances according to their associated expert distributions. Extensive experiments on both real and synthetic datasets have demonstrated that the method is capable of obtaining promising clustering results and competitive time-to-event predicting performance.

In order for agents in multi-agent systems (MAS) to be safe, they need to take into account the risks posed by the actions of other agents. However, the dominant paradigm in game theory (GT) assumes that agents are not affected by risk from other agents and only strive to maximise their expected utility. For example, in hybrid human-AI driving systems, it is necessary to limit large deviations in reward resulting from car crashes. Although there are equilibrium concepts in game theory that take into account risk aversion, they either assume that agents are risk-neutral with respect to the uncertainty caused by the actions of other agents, or they are not guaranteed to exist. We introduce a new GT-based Risk-Averse Equilibrium (RAE) that always produces a solution that minimises the potential variance in reward accounting for the strategy of other agents. Theoretically and empirically, we show RAE shares many properties with a Nash Equilibrium (NE), establishing convergence properties and generalising to risk-dominant NE in certain cases. To tackle large-scale problems, we extend RAE to the PSRO multi-agent reinforcement learning (MARL) framework. We empirically demonstrate the minimum reward variance benefits of RAE in matrix games with high-risk outcomes. Results on MARL experiments show RAE generalises to risk-dominant NE in a trust dilemma game and that it reduces instances of crashing by 7x in an autonomous driving setting versus the best performing baseline.

We propose a continuous optimization framework for discovering a latent directed acyclic graph (DAG) from observational data. Our approach optimizes over the polytope of permutation vectors, the so-called Permutahedron, to learn a topological ordering. Edges can be optimized jointly, or learned conditional on the ordering via a non-differentiable subroutine. Compared to existing continuous optimization approaches our formulation has a number of advantages including: 1. validity: optimizes over exact DAGs as opposed to other relaxations optimizing approximate DAGs; 2. modularity: accommodates any edge-optimization procedure, edge structural parameterization, and optimization loss; 3. end-to-end: either alternately iterates between node-ordering and edge-optimization, or optimizes them jointly. We demonstrate, on real-world data problems in protein-signaling and transcriptional network discovery, that our approach lies on the Pareto frontier of two key metrics, the SID and SHD.

Under losses which are potentially heavy-tailed, we consider the task of minimizing sums of the loss mean and standard deviation, without trying to accurately estimate the variance. By modifying a technique for variance-free robust mean estimation to fit our problem setting, we derive a simple learning procedure which can be easily combined with standard gradient-based solvers to be used in traditional machine learning workflows. Empirically, we verify that our proposed approach, despite its simplicity, performs as well or better than even the best-performing candidates derived from alternative criteria such as CVaR or DRO risks on a variety of datasets.  ( 2 min )

Human visual perception can easily generalize to out-of-distributed visual data, which is far beyond the capability of modern machine learning models. Domain generalization (DG) aims to close this gap, with existing DG methods mainly focusing on the loss function design. In this paper, we propose to explore an orthogonal direction, i.e., the design of the backbone architecture. It is motivated by an empirical finding that transformer-based models trained with empirical risk minimization (ERM) outperform CNN-based models employing state-of-the-art (SOTA) DG algorithms on multiple DG datasets. We develop a formal framework to characterize a network's robustness to distribution shifts by studying its architecture's alignment with the correlations in the dataset. This analysis guides us to propose a novel DG model built upon vision transformers, namely Generalizable Mixture-of-Experts (GMoE). Extensive experiments on DomainBed demonstrate that GMoE trained with ERM outperforms SOTA DG baselines by a large margin. Moreover, GMoE is complementary to existing DG methods and its performance is substantially improved when trained with DG algorithms.

Neural networks are vulnerable to backdoor poisoning attacks, where the attackers maliciously poison the training set and insert triggers into the test input to change the prediction of the victim model. Existing defenses for backdoor attacks either provide no formal guarantees or come with expensive-to-compute and ineffective probabilistic guarantees. We present PECAN, an efficient and certified approach for defending against backdoor attacks. The key insight powering PECAN is to apply off-the-shelf test-time evasion certification techniques on a set of neural networks trained on disjoint partitions of the data. We evaluate PECAN on image classification and malware detection datasets. Our results demonstrate that PECAN can (1) significantly outperform the state-of-the-art certified backdoor defense, both in defense strength and efficiency, and (2) on real back-door attacks, PECAN can reduce attack success rate by order of magnitude when compared to a range of baselines from the literature.

In this paper, we aimed to help bridge the gap between human fluid intelligence - the ability to solve novel tasks without prior training - and the performance of deep neural networks, which typically require extensive prior training. An essential cognitive component for solving intelligence tests, which in humans are used to measure fluid intelligence, is the ability to identify regularities in sequences. This motivated us to construct a benchmark task, which we term \textit{sequence consistency evaluation} (SCE), whose solution requires the ability to identify regularities in sequences. Given the proven capabilities of deep networks, their ability to solve such tasks after extensive training is expected. Surprisingly, however, we show that naive (randomly initialized) deep learning models that are trained on a \textit{single} SCE with a \textit{single} optimization step can still solve non-trivial versions of the task relatively well. We extend our findings to solve, without any prior training, real-world anomaly detection tasks in the visual and auditory modalities. These results demonstrate the fluid-intelligent computational capabilities of deep networks. We discuss the implications of our work for constructing fluid-intelligent machines.

Bi-stochastic normalization provides an alternative normalization of graph Laplacians in graph-based data analysis and can be computed efficiently by Sinkhorn-Knopp (SK) iterations. This paper proves the convergence of bi-stochastically normalized graph Laplacian to manifold (weighted-)Laplacian with rates, when $n$ data points are i.i.d. sampled from a general $d$-dimensional manifold embedded in a possibly high-dimensional space. Under certain joint limit of $n \to \infty$ and kernel bandwidth $\epsilon \to 0$, the point-wise convergence rate of the graph Laplacian operator (under 2-norm) is proved to be $ O( n^{-1/(d/2+3)})$ at finite large $n$ up to log factors, achieved at the scaling of $\epsilon \sim n^{-1/(d/2+3)} $. When the manifold data are corrupted by outlier noise, we theoretically prove the graph Laplacian point-wise consistency which matches the rate for clean manifold data plus an additional term proportional to the boundedness of the inner-products of the noise vectors among themselves and with data vectors. Motivated by our analysis, which suggests that not exact bi-stochastic normalization but an approximate one will achieve the same consistency rate, we propose an approximate and constrained matrix scaling problem that can be solved by SK iterations with early termination. Numerical experiments support our theoretical results and show the robustness of bi-stochastically normalized graph Laplacian to high-dimensional outlier noise.

Recent advances in data-generating techniques led to an explosive growth of geo-spatiotemporal data. In domains such as hydrology, ecology, and transportation, interpreting the complex underlying patterns of spatiotemporal interactions with the help of deep learning techniques hence becomes the need of the hour. However, applying deep learning techniques without domain-specific knowledge tends to provide sub-optimal prediction performance. Secondly, training such models on large-scale data requires extensive computational resources. To eliminate these challenges, we present a novel distributed domain-aware spatiotemporal network that utilizes domain-specific knowledge with improved model performance. Our network consists of a pixel-contribution block, a distributed multiheaded multichannel convolutional (CNN) spatial block, and a recurrent temporal block. We choose flood prediction in hydrology as a use case to test our proposed method. From our analysis, the network effectively predicts high peaks in discharge measurements at watershed outlets with up to 4.1x speedup and increased prediction performance of up to 93\%. Our approach achieved a 12.6x overall speedup and increased the mean prediction performance by 16\%. We perform extensive experiments on a dataset of 23 watersheds in a northern state of the U.S. and present our findings.

We study the error of linear regression in the face of adversarial attacks. In this framework, an adversary changes the input to the regression model in order to maximize the prediction error. We provide bounds on the prediction error in the presence of an adversary as a function of the parameter norm and the error in the absence of such an adversary. We show how these bounds make it possible to study the adversarial error using analysis from non-adversarial setups. The obtained results shed light on the robustness of overparameterized linear models to adversarial attacks. Adding features might be either a source of additional robustness or brittleness. On the one hand, we use asymptotic results to illustrate how double-descent curves can be obtained for the adversarial error. On the other hand, we derive conditions under which the adversarial error can grow to infinity as more features are added, while at the same time, the test error goes to zero. We show this behavior is caused by the fact that the norm of the parameter vector grows with the number of features. It is also established that $\ell_\infty$ and $\ell_2$-adversarial attacks might behave fundamentally differently due to how the $\ell_1$ and $\ell_2$-norms of random projections concentrate. We also show how our reformulation allows for solving adversarial training as a convex optimization problem. This fact is then exploited to establish similarities between adversarial training and parameter-shrinking methods and to study how the training might affect the robustness of the estimated models.

In machine learning, fewer features reduce model complexity. Carefully assessing the influence of each input feature on the model quality is therefore a crucial preprocessing step. We propose a novel feature selection algorithm based on a quadratic unconstrained binary optimization (QUBO) problem, which allows to select a specified number of features based on their importance and redundancy. In contrast to iterative or greedy methods, our direct approach yields higherquality solutions. QUBO problems are particularly interesting because they can be solved on quantum hardware. To evaluate our proposed algorithm, we conduct a series of numerical experiments using a classical computer, a quantum gate computer and a quantum annealer. Our evaluation compares our method to a range of standard methods on various benchmark datasets. We observe competitive performance.  ( 2 min )

Deep neural networks are becoming increasingly popular in approximating arbitrary functions from noisy data. But wider adoption is being hindered by the need to explain such models and to impose additional constraints on them. Monotonicity constraint is one of the most requested properties in real-world scenarios and is the focus of this paper. One of the oldest ways to construct a monotonic fully connected neural network is to constrain its weights to be non-negative while employing a monotonic activation function. Unfortunately, this construction does not work with popular non-saturated activation functions such as ReLU, ELU, SELU etc, as it can only approximate convex functions. We show this shortcoming can be fixed by employing the original activation function for a part of the neurons in the layer, and employing its point reflection for the other part. Our experiments show this approach of building monotonic deep neural networks have matching or better accuracy when compared to other state-of-the-art methods such as deep lattice networks or monotonic networks obtained by heuristic regularization. This method is the simplest one in the sense of having the least number of parameters, not requiring any modifications to the learning procedure or steps post-learning steps.

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact (log-)marginal likelihood. While VAEs are commonly used for representation learning, it is unclear why ELBO maximization would yield useful representations, since unregularized maximum likelihood estimation cannot invert the data-generating process. Yet, VAEs often succeed at this task. We seek to elucidate this apparent paradox by studying nonlinear VAEs in the limit of near-deterministic decoders. We first prove that, in this regime, the optimal encoder approximately inverts the decoder -- a commonly used but unproven conjecture -- which we refer to as {\em self-consistency}. Leveraging self-consistency, we show that the ELBO converges to a regularized log-likelihood. This allows VAEs to perform what has recently been termed independent mechanism analysis (IMA): it adds an inductive bias towards decoders with column-orthogonal Jacobians, which helps recovering the true latent factors. The gap between ELBO and log-likelihood is therefore welcome, since it bears unanticipated benefits for nonlinear representation learning. In experiments on synthetic and image data, we show that VAEs uncover the true latent factors when the data generating process satisfies the IMA assumption.

Batch Bayesian optimisation (BO) has shown to be a sample-efficient method of performing optimisation where expensive-to-evaluate objective functions can be queried in parallel. However, current methods do not scale to large batch sizes -- a frequent desideratum in practice (e.g. drug discovery or simulation-based inference). We present a novel algorithm, SOBER, which permits scalable and diversified batch BO with arbitrary acquisition functions, arbitrary input spaces (e.g. graph), and arbitrary kernels. The key to our approach is to reformulate batch selection for BO as a Bayesian quadrature (BQ) problem, which offers computational advantages. This reformulation is beneficial in solving BQ tasks reciprocally, which introduces the exploitative functionality of BO to BQ. We show that SOBER offers substantive performance gains in synthetic and real-world tasks, including drug discovery and simulation-based inference.

This paper presents a stochastic differential equation (SDE) approach for general-purpose image restoration. The key construction consists in a mean-reverting SDE that transforms a high-quality image into a degraded counterpart as a mean state with fixed Gaussian noise. Then, by simulating the corresponding reverse-time SDE, we are able to restore the origin of the low-quality image without relying on any task-specific prior knowledge. Crucially, the proposed mean-reverting SDE has a closed-form solution, allowing us to compute the ground truth time-dependent score and learn it with a neural network. Moreover, we propose a maximum likelihood objective to learn an optimal reverse trajectory which stabilizes the training and improves the restoration results. In the experiments, we show that our proposed method achieves highly competitive performance in quantitative comparisons on image deraining, deblurring, and denoising, setting a new state-of-the-art on two deraining datasets. Finally, the general applicability of our approach is further demonstrated via qualitative results on image super-resolution, inpainting, and dehazing. Code is available at \url{https://github.com/Algolzw/image-restoration-sde}.

Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a large database of chemical structures. However, current approaches to spectrum prediction model the output space in ways that force a tradeoff between capturing high resolution mass information and tractable learning. We resolve this tradeoff by casting spectrum prediction as a mapping from an input molecular graph to a probability distribution over molecular formulas. We discover that a large corpus of mass spectra can be closely approximated using a fixed vocabulary constituting only 2% of all observed formulas. This enables efficient spectrum prediction using an architecture similar to graph classification - GrAFF-MS - achieving significantly lower prediction error and orders-of-magnitude faster runtime than state-of-the-art methods.

Advances in machine learning have enabled the prediction of immune system responses to prophylactic and therapeutic vaccines. However, the engineering task of designing vaccines remains a challenge. In particular, the genetic variability of the human immune system makes it difficult to design peptide vaccines that provide widespread immunity in vaccinated populations. We introduce a framework for evaluating and designing peptide vaccines that uses probabilistic machine learning models, and demonstrate its ability to produce designs for a SARS-CoV-2 vaccine that outperform previous designs. We provide a theoretical analysis of the approximability, scalability, and complexity of our framework.

The exploration/exploitation trade-off is an inherent challenge in data-driven adaptive control. Though this trade-off has been studied for multi-armed bandits (MAB's) and reinforcement learning for linear systems; it is less well-studied for learning-based control of nonlinear systems. A significant theoretical challenge in the nonlinear setting is that there is no explicit characterization of an optimal controller for a given set of cost and system parameters. We propose the use of a finite-horizon oracle controller with full knowledge of parameters as a reasonable surrogate to optimal controller. This allows us to develop policies in the context of learning-based MPC and MAB's and conduct a control-theoretic analysis using techniques from MPC- and optimization-theory to show these policies achieve low regret with respect to this finite-horizon oracle. Our simulations exhibit the low regret of our policy on a heating, ventilation, and air-conditioning model with partially-unknown cost function.  ( 2 min )

To provide rigorous uncertainty quantification for online learning models, we develop a framework for constructing uncertainty sets that provably control risk -- such as coverage of confidence intervals, false negative rate, or F1 score -- in the online setting. This extends conformal prediction to apply to a larger class of online learning problems. Our method guarantees risk control at any user-specified level even when the underlying data distribution shifts drastically, even adversarially, over time in an unknown fashion. The technique we propose is highly flexible as it can be applied with any base online learning algorithm (e.g., a deep neural network trained online), requiring minimal implementation effort and essentially zero additional computational cost. We further extend our approach to control multiple risks simultaneously, so the prediction sets we generate are valid for all given risks. To demonstrate the utility of our method, we conduct experiments on real-world tabular time-series data sets showing that the proposed method rigorously controls various natural risks. Furthermore, we show how to construct valid intervals for an online image-depth estimation problem that previous sequential calibration schemes cannot handle.

Constrained Markov decision processes (CMDPs) model scenarios of sequential decision making with multiple objectives that are increasingly important in many applications. However, the model is often unknown and must be learned online while still ensuring the constraint is met, or at least the violation is bounded with time. Some recent papers have made progress on this very challenging problem but either need unsatisfactory assumptions such as knowledge of a safe policy, or have high cumulative regret. We propose the Safe PSRL (posterior sampling-based RL) algorithm that does not need such assumptions and yet performs very well, both in terms of theoretical regret bounds as well as empirically. The algorithm achieves an efficient tradeoff between exploration and exploitation by use of the posterior sampling principle, and provably suffers only bounded constraint violation by leveraging the idea of pessimism. Our approach is based on a primal-dual approach. We establish a sub-linear $\tilde{\mathcal{ O}}\left(H^{2.5} \sqrt{|\mathcal{S}|^2 |\mathcal{A}| K} \right)$ upper bound on the Bayesian reward objective regret along with a bounded, i.e., $\tilde{\mathcal{O}}\left(1\right)$ constraint violation regret over $K$ episodes for an $|\mathcal{S}|$-state, $|\mathcal{A}|$-action and horizon $H$ CMDP.  ( 2 min )

Real-world deep learning models developed for Time Series Forecasting are used in several critical applications ranging from medical devices to the security domain. Many previous works have shown how deep learning models are prone to adversarial attacks and studied their vulnerabilities. However, the vulnerabilities of time series models for forecasting due to adversarial inputs are not extensively explored. While the attack on a forecasting model might aim to deteriorate the performance of the model, it is more effective, if the attack is focused on a specific impact on the model's output. In this paper, we propose a novel formulation of Directional, Amplitudinal, and Temporal targeted adversarial attacks on time series forecasting models. These targeted attacks create a specific impact on the amplitude and direction of the output prediction. We use the existing adversarial attack techniques from the computer vision domain and adapt them for time series. Additionally, we propose a modified version of the Auto Projected Gradient Descent attack for targeted attacks. We examine the impact of the proposed targeted attacks versus untargeted attacks. We use KS-Tests to statistically demonstrate the impact of the attack. Our experimental results show how targeted attacks on time series models are viable and are more powerful in terms of statistical similarity. It is, hence difficult to detect through statistical methods. We believe that this work opens a new paradigm in the time series forecasting domain and represents an important consideration for developing better defenses.  ( 2 min )

We consider a decentralized multiplayer game, played over $T$ rounds, with a leader-follower hierarchy described by a directed acyclic graph. For each round, the graph structure dictates the order of the players and how players observe the actions of one another. By the end of each round, all players receive a joint bandit-reward based on their joint action that is used to update the player strategies towards the goal of minimizing the joint pseudo-regret. We present a learning algorithm inspired by the single-player multi-armed bandit problem and show that it achieves sub-linear joint pseudo-regret in the number of rounds for both adversarial and stochastic bandit rewards. Furthermore, we quantify the cost incurred due to the decentralized nature of our problem compared to the centralized setting.

Warning: this paper contains content that may be offensive or upsetting. In the current context where online platforms have been effectively weaponized in a variety of geo-political events and social issues, Internet memes make fair content moderation at scale even more difficult. Existing work on meme classification and tracking has focused on black-box methods that do not explicitly consider the semantics of the memes or the context of their creation. In this paper, we pursue a modular and explainable architecture for Internet meme understanding. We design and implement multimodal classification methods that perform example- and prototype-based reasoning over training cases, while leveraging both textual and visual SOTA models to represent the individual cases. We study the relevance of our modular and explainable models in detecting harmful memes on two existing tasks: Hate Speech Detection and Misogyny Classification. We compare the performance between example- and prototype-based methods, and between text, vision, and multimodal models, across different categories of harmfulness (e.g., stereotype and objectification). We devise a user-friendly interface that facilitates the comparative analysis of examples retrieved by all of our models for any given meme, informing the community about the strengths and limitations of these explainable methods.  ( 2 min )

Neural networks are notoriously vulnerable to adversarial attacks -- small imperceptible perturbations that can change the network's output drastically. In the reverse direction, there may exist large, meaningful perturbations that leave the network's decision unchanged (excessive invariance, nonivertibility). We study the latter phenomenon in two contexts: (a) discrete-time dynamical system identification, as well as (b) calibration of the output of one neural network to the output of another (neural network matching). For ReLU networks and $L_p$ norms ($p=1,2,\infty$), we formulate these optimization problems as mixed-integer programs (MIPs) that apply to neural network approximators of dynamical systems. We also discuss the applicability of our results to invertibility certification in transformations between neural networks (e.g. at different levels of pruning).

Most personalised federated learning (FL) approaches assume that raw data of all clients are defined in a common subspace i.e. all clients store their data according to the same schema. For real-world applications, this assumption is restrictive as clients, having their own systems to collect and then store data, may use heterogeneous data representations. We aim at filling this gap. To this end, we propose a general framework coined FLIC that maps client's data onto a common feature space via local embedding functions. The common feature space is learnt in a federated manner using Wasserstein barycenters while the local embedding functions are trained on each client via distribution alignment. We integrate this distribution alignement mechanism into a federated learning approach and provide the algorithmics of FLIC. We compare its performances against FL benchmarks involving heterogeneous input features spaces. In addition, we provide theoretical insights supporting the relevance of our methodology.  ( 2 min )

In this study, we address the problem of optimizing multi-output black-box functions under uncertain environments. We formulate this problem as the estimation of the uncertain Pareto-frontier (PF) of a multi-output Bayesian surrogate model with two types of variables: design variables and environmental variables. We consider this problem within the context of Bayesian optimization (BO) under uncertain environments, where the design variables are controllable, whereas the environmental variables are assumed to be random and not controllable. The challenge of this problem is to robustly estimate the PF when the distribution of the environmental variables is unknown, that is, to estimate the PF when the environmental variables are generated from the worst possible distribution. We propose a method for solving the BO problem by appropriately incorporating the uncertainties of the environmental variables and their probability distribution. We demonstrate that the proposed method can find an arbitrarily accurate PF with high probability in a finite number of iterations. We also evaluate the performance of the proposed method through numerical experiments.  ( 2 min )

How to do big portfolio selection is very important but challenging for both researchers and practitioners. In this paper, we propose a new graph-based conditional moments (GRACE) method to do portfolio selection based on thousands of stocks or more. The GRACE method first learns the conditional quantiles and mean of stock returns via a factor-augmented temporal graph convolutional network, which guides the learning procedure through a factor-hypergraph built by the set of stock-to-stock relations from the domain knowledge as well as the set of factor-to-stock relations from the asset pricing knowledge. Next, the GRACE method learns the conditional variance, skewness, and kurtosis of stock returns from the learned conditional quantiles by using the quantiled conditional moment (QCM) method. The QCM method is a supervised learning procedure to learn these conditional higher-order moments, so it largely overcomes the computational difficulty from the classical high-dimensional GARCH-type methods. Moreover, the QCM method allows the mis-specification in modeling conditional quantiles to some extent, due to its regression-based nature. Finally, the GRACE method uses the learned conditional mean, variance, skewness, and kurtosis to construct several performance measures, which are criteria to sort the stocks to proceed the portfolio selection in the well-known 10-decile framework. An application to NASDAQ and NYSE stock markets shows that the GRACE method performs much better than its competitors, particularly when the performance measures are comprised of conditional variance, skewness, and kurtosis.

In this paper, we study the collaborative learning model, which concerns the tradeoff between parallelism and communication overhead in multi-agent reinforcement learning. For a fundamental problem in bandit theory, regret minimization in multi-armed bandits, we present the first and almost tight tradeoffs between the number of rounds of communication between the agents and the regret of the collaborative learning process.  ( 2 min )

Many policy optimization approaches in reinforcement learning incorporate a Kullback-Leilbler (KL) divergence to the previous policy, to prevent the policy from changing too quickly. This idea was initially proposed in a seminal paper on Conservative Policy Iteration, with approximations given by algorithms like TRPO and Munchausen Value Iteration (MVI). We continue this line of work by investigating a generalized KL divergence -- called the Tsallis KL divergence -- which use the $q$-logarithm in the definition. The approach is a strict generalization, as $q = 1$ corresponds to the standard KL divergence; $q > 1$ provides a range of new options. We characterize the types of policies learned under the Tsallis KL, and motivate when $q >1$ could be beneficial. To obtain a practical algorithm that incorporates Tsallis KL regularization, we extend MVI, which is one of the simplest approaches to incorporate KL regularization. We show that this generalized MVI($q$) obtains significant improvements over the standard MVI($q = 1$) across 35 Atari games.

We present a novel method for the safety verification of nonlinear dynamical models that uses neural networks to represent abstractions of their dynamics. Neural networks have extensively been used before as approximators; in this work, we make a step further and use them for the first time as abstractions. For a given dynamical model, our method synthesises a neural network that overapproximates its dynamics by ensuring an arbitrarily tight, formally certified bound on the approximation error. For this purpose, we employ a counterexample-guided inductive synthesis procedure. We show that this produces a neural ODE with non-deterministic disturbances that constitutes a formal abstraction of the concrete model under analysis. This guarantees a fundamental property: if the abstract model is safe, i.e., free from any initialised trajectory that reaches an undesirable state, then the concrete model is also safe. By using neural ODEs with ReLU activation functions as abstractions, we cast the safety verification problem for nonlinear dynamical models into that of hybrid automata with affine dynamics, which we verify using SpaceEx. We demonstrate that our approach performs comparably to the mature tool Flow* on existing benchmark nonlinear models. We additionally demonstrate and that it is effective on models that do not exhibit local Lipschitz continuity, which are out of reach to the existing technologies.

Efficient video-language modeling should consider the computational cost because of a large, sometimes intractable, number of video frames. Parametric approaches such as the attention mechanism may not be ideal since its computational cost quadratically increases as the video length increases. Rather, previous studies have relied on offline feature extraction or frame sampling to represent the video efficiently, focusing on cross-modal modeling in short video clips. In this paper, we propose a semi-parametric video-grounded text generation model, SeViT, a novel perspective on scalable video-language modeling toward long untrimmed videos. Treating a video as an external data store, SeViT includes a non-parametric frame retriever to select a few query-relevant frames from the data store for a given query and a parametric generator to effectively aggregate the frames with the query via late fusion methods. Experimental results demonstrate our method has a significant advantage in longer videos and causal video understanding. Moreover, our model achieves the new state of the art on four video-language datasets, iVQA (+4.8), Next-QA (+6.9), and Activitynet-QA (+4.8) in accuracy, and MSRVTT-Caption (+3.6) in CIDEr.

As a framework for sequential decision-making, Reinforcement Learning (RL) has been regarded as an essential component leading to Artificial General Intelligence (AGI). However, RL is often criticized for having the same training environment as the test one, which also hinders its application in the real world. To mitigate this problem, Distributionally Robust RL (DRRL) is proposed to improve the worst performance in a set of environments that may contain the unknown test environment. Due to the nonlinearity of the robustness goal, most of the previous work resort to the model-based approach, learning with either an empirical distribution learned from the data or a simulator that can be sampled infinitely, which limits their applications in simple dynamics environments. In contrast, we attempt to design a DRRL algorithm that can be trained along a single trajectory, i.e., no repeated sampling from a state. Based on the standard Q-learning, we propose distributionally robust Q-learning with the single trajectory (DRQ) and its average-reward variant named differential DRQ. We provide asymptotic convergence guarantees and experiments for both settings, demonstrating their superiority in the perturbed environments against the non-robust ones.

Current reinforcement learning (RL) often suffers when solving a challenging exploration problem where the desired outcomes or high rewards are rarely observed. Even though curriculum RL, a framework that solves complex tasks by proposing a sequence of surrogate tasks, shows reasonable results, most of the previous works still have difficulty in proposing curriculum due to the absence of a mechanism for obtaining calibrated guidance to the desired outcome state without any prior domain knowledge. To alleviate it, we propose an uncertainty & temporal distance-aware curriculum goal generation method for the outcome-directed RL via solving a bipartite matching problem. It could not only provide precisely calibrated guidance of the curriculum to the desired outcome states but also bring much better sample efficiency and geometry-agnostic curriculum goal proposal capability compared to previous curriculum RL methods. We demonstrate that our algorithm significantly outperforms these prior methods in a variety of challenging navigation tasks and robotic manipulation tasks in a quantitative and qualitative way.

In this paper we describe the mathematical foundations of a new approach to semi-supervised Machine Learning. Using techniques of Symbolic Computation and Computer Algebra, we apply the concept of persistent homology to obtain a new semi-supervised learning method.

Understanding the interaction between different road users is critical for road safety and automated vehicles (AVs). Existing mathematical models on this topic have been proposed based mostly on either cognitive or machine learning (ML) approaches. However, current cognitive models are incapable of simulating road user trajectories in general scenarios, and ML models lack a focus on the mechanisms generating the behavior and take a high-level perspective which can cause failures to capture important human-like behaviors. Here, we develop a model of human pedestrian crossing decisions based on computational rationality, an approach using deep reinforcement learning (RL) to learn boundedly optimal behavior policies given human constraints, in our case a model of the limited human visual system. We show that the proposed combined cognitive-RL model captures human-like patterns of gap acceptance and crossing initiation time. Interestingly, our model's decisions are sensitive to not only the time gap, but also the speed of the approaching vehicle, something which has been described as a "bias" in human gap acceptance behavior. However, our results suggest that this is instead a rational adaption to human perceptual limitations. Moreover, we demonstrate an approach to accounting for individual differences in computational rationality models, by conditioning the RL policy on the parameters of the human constraints. Our results demonstrate the feasibility of generating more human-like road user behavior by combining RL with cognitive models.

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as \emph{properness}, which asserts that Bayes' rule is optimal. Recent works have sought to \emph{learn losses} and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps $\mathbb{R}$ to $[0,1]$ to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between $\mathbb{R}^{C-1}$ and the projected probability simplex $\tilde{\Delta}^{C-1}$ by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns \emph{proper canonical losses} and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a $t$-test at 99% significance on all datasets with greater than 10 classes.

This thesis considers sequential decision problems, where the loss/reward incurred by selecting an action may not be inferred from observed feedback. A major part of this thesis focuses on the unsupervised sequential selection problem, where one can not infer the loss incurred for selecting an action from observed feedback. We also introduce a new setup named Censored Semi Bandits, where the loss incurred for selecting an action can be observed under certain conditions. Finally, we study the channel selection problem in the communication networks, where the reward for an action is only observed when no other player selects that action to play in the round. These problems find applications in many fields like healthcare, crowd-sourcing, security, adaptive resource allocation, among many others. This thesis aims to address the above-described sequential decision problems by exploiting specific structures these problems exhibit. We develop provably optimal algorithms for each of these setups with weak feedback and validate their empirical performance on different problem instances derived from synthetic and real datasets.  ( 2 min )

Text classification is a fundamental task in natural language processing (NLP). Several recent studies show the success of deep learning on text processing. Convolutional neural network (CNN), as a popular deep learning model, has shown remarkable success in the task of text classification. In this paper, new baseline models have been studied for text classification using CNN. In these models, documents are fed to the network as a three-dimensional tensor representation to provide sentence-level analysis. Applying such a method enables the models to take advantage of the positional information of the sentences in the text. Besides, analysing adjacent sentences allows extracting additional features. The proposed models have been compared with the state-of-the-art models using several datasets. The results have shown that the proposed models have better performance, particularly in the longer documents.

Message passing neural networks (MPNNs) learn the representation of graph-structured data based on graph original information, including node features and graph structures, and have shown astonishing improvement in node classification tasks. However, the expressive power of MPNNs is upper bounded by the first-order Weisfeiler-Leman test and its accuracy still has room for improvement. This work studies how to improve MPNNs' expressiveness and generalizability by fully exploiting graph original information both theoretically and empirically. It further proposes a new GNN model called INGNN (INformation-enhanced Graph Neural Network) that leverages the insights to improve node classification performance. Extensive experiments on both synthetic and real datasets demonstrate the superiority (average rank 1.78) of our INGNN compared with state-of-the-art methods.  ( 2 min )

Soft labels in image classification are vector representations of an image's true classification. In this paper, we investigate soft labels in the context of satellite object detection. We propose using detections as the basis for a new dataset of soft labels. Much of the effort in creating a high-quality model is gathering and annotating the training data. If we could use a model to generate a dataset for us, we could not only rapidly create datasets, but also supplement existing open-source datasets. Using a subset of the xView dataset, we train a YOLOv5 model to detect cars, planes, and ships. We then use that model to generate soft labels for the second training set which we then train and compare to the original model. We show that soft labels can be used to train a model that is almost as accurate as a model trained on the original data.  ( 2 min )

Transfer learning is an emerging and popular paradigm for utilizing existing knowledge from previous learning tasks to improve the performance of new ones. Despite its numerous empirical successes, theoretical analysis for transfer learning is limited. In this paper we build for the first time, to the best of our knowledge, a mathematical framework for the general procedure of transfer learning. Our unique reformulation of transfer learning as an optimization problem allows for the first time, analysis of its feasibility. Additionally, we propose a novel concept of transfer risk to evaluate transferability of transfer learning. Our numerical studies using the Office-31 dataset demonstrate the potential and benefits of incorporating transfer risk in the evaluation of transfer learning performance.

Counterexample-guided repair aims at creating neural networks with mathematical safety guarantees, facilitating the application of neural networks in safety-critical domains. However, whether counterexample-guided repair is guaranteed to terminate remains an open question. We approach this question by showing that counterexample-guided repair can be viewed as a robust optimisation algorithm. While termination guarantees for neural network repair itself remain beyond our reach, we prove termination for more restrained machine learning models and disprove termination in a general setting. We empirically study the practical implications of our theoretical results, demonstrating the suitability of common verifiers and falsifiers for repair despite a disadvantageous theoretical result. Additionally, we use our theoretical insights to devise a novel algorithm for repairing linear regression models, surpassing existing approaches.  ( 2 min )

Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are programmatically demanding and computationally costly. The MLExchange project aims to build a collaborative platform equipped with enabling tools that allow scientists and facility users who do not have a profound ML background to use ML and computational resources in scientific discovery. At the high level, we are targeting a full user experience where managing and exchanging ML algorithms, workflows, and data are readily available through web applications. Since each component is an independent container, the whole platform or its individual service(s) can be easily deployed at servers of different scales, ranging from a personal device (laptop, smart phone, etc.) to high performance clusters (HPC) accessed (simultaneously) by many users. Thus, MLExchange renders flexible using scenarios -- users could either access the services and resources from a remote server or run the whole platform or its individual service(s) within their local network.  ( 2 min )

Actor-critic methods have achieved significant success in many challenging applications. However, its finite-time convergence is still poorly understood in its most practical form. Existing works on analyzing single-timescale actor-critic only focus on the i.i.d. sampling or tabular setting for simplicity. We consider the more practical online single-timescale actor-critic algorithm on continuous state space, where the critic is updated with a single Markovian sample per actor step. Existing analysis cannot conclude the convergence for such a challenging case. We prove that the online single-timescale actor-critic method is guaranteed to find an $\epsilon$-approximate stationary point with $\widetilde{\mathcal{O}}(\epsilon^{-2})$ sample complexity under standard assumptions, which can be further improved to $\mathcal{O}(\epsilon^{-2})$ under the i.i.d. sampling. We develop a novel framework that evaluates and controls the error propagation between actor and critic systematically. To our knowledge, this is the first finite-time analysis for the online single-timescale actor-critic method. Our results compare favorably to the existing literature in terms of considering the most practical yet challenging settings and requiring weaker assumptions.  ( 2 min )

Humans are well-versed in reasoning about the behaviors of physical objects and choosing actions accordingly to accomplish tasks, while it remains a major challenge for AI. To facilitate research addressing this problem, we propose a new testbed that requires an agent to reason about physical scenarios and take an action appropriately. Inspired by the physical knowledge acquired in infancy and the capabilities required for robots to operate in real-world environments, we identify 15 essential physical scenarios. We create a wide variety of distinct task templates, and we ensure all the task templates within the same scenario can be solved by using one specific strategic physical rule. By having such a design, we evaluate two distinct levels of generalization, namely the local generalization and the broad generalization. We conduct an extensive evaluation with human players, learning agents with varying input types and architectures, and heuristic agents with different strategies. Inspired by how human IQ is calculated, we define the physical reasoning quotient (Phy-Q score) that reflects the physical reasoning intelligence of an agent using the physical scenarios we considered. Our evaluation shows that 1) all agents are far below human performance, and 2) learning agents, even with good local generalization ability, struggle to learn the underlying physical reasoning rules and fail to generalize broadly. We encourage the development of intelligent agents that can reach the human level Phy-Q score. Website: https://github.com/phy-q/benchmark  ( 2 min )

Recently, flat-minima optimizers, which seek to find parameters in low-loss neighborhoods, have been shown to improve a neural network's generalization performance over stochastic and adaptive gradient-based optimizers. Two methods have received significant attention due to their scalability: 1. Stochastic Weight Averaging (SWA), and 2. Sharpness-Aware Minimization (SAM). However, there has been limited investigation into their properties and no systematic benchmarking of them across different domains. We fill this gap here by comparing the loss surfaces of the models trained with each method and through broad benchmarking across computer vision, natural language processing, and graph representation learning tasks. We discover several surprising findings from these results, which we hope will help researchers further improve deep learning optimizers, and practitioners identify the right optimizer for their problem.  ( 2 min )

We theoretically study the impact of differential privacy on fairness in classification. We prove that, given a class of models, popular group fairness measures are pointwise Lipschitz-continuous with respect to the parameters of the model. This result is a consequence of a more general statement on accuracy conditioned on an arbitrary event (such as membership to a sensitive group), which may be of independent interest. We use the aforementioned Lipschitz property to prove a high probability bound showing that, given enough examples, the fairness level of private models is close to the one of their non-private counterparts.  ( 2 min )

Sparse matrix representations are ubiquitous in computational science and machine learning, leading to significant reductions in compute time, in comparison to dense representation, for problems that have local connectivity. The adoption of sparse representation in leading ML frameworks such as PyTorch is incomplete, however, with support for both automatic differentiation and GPU acceleration missing. In this work, we present an implementation of a CSR-based sparse matrix wrapper for PyTorch with CUDA acceleration for basic matrix operations, as well as automatic differentiability. We also present several applications of the resulting sparse kernels to optimization problems, demonstrating ease of implementation and performance measurements versus their dense counterparts.  ( 2 min )

Sample-efficient offline reinforcement learning (RL) with linear function approximation has recently been studied extensively. Much of prior work has yielded the minimax-optimal bound of $\tilde{\mathcal{O}}(\frac{1}{\sqrt{K}})$, with $K$ being the number of episodes in the offline data. In this work, we seek to understand instance-dependent bounds for offline RL with function approximation. We present an algorithm called Bootstrapped and Constrained Pessimistic Value Iteration (BCP-VI), which leverages data bootstrapping and constrained optimization on top of pessimism. We show that under a partial data coverage assumption, that of \emph{concentrability} with respect to an optimal policy, the proposed algorithm yields a fast rate of $\tilde{\mathcal{O}}(\frac{1}{K})$ for offline RL when there is a positive gap in the optimal Q-value functions, even when the offline data were adaptively collected. Moreover, when the linear features of the optimal actions in the states reachable by an optimal policy span those reachable by the behavior policy and the optimal actions are unique, offline RL achieves absolute zero sub-optimality error when $K$ exceeds a (finite) instance-dependent threshold. To the best of our knowledge, these are the first $\tilde{\mathcal{O}}(\frac{1}{K})$ bound and absolute zero sub-optimality bound respectively for offline RL with linear function approximation from adaptive data with partial coverage. We also provide instance-agnostic and instance-dependent information-theoretical lower bounds to complement our upper bounds.  ( 2 min )

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of parallelisation has hindered its practical applications. In this work, we propose a parallelised (batch) BQ method, employing techniques from kernel quadrature, that possesses an empirically exponential convergence rate. Additionally, just as with Nested Sampling, our method permits simultaneous inference of both posteriors and model evidence. Samples from our BQ surrogate model are re-selected to give a sparse set of samples, via a kernel recombination algorithm, requiring negligible additional time to increase the batch size. Empirically, we find that our approach significantly outperforms the sampling efficiency of both state-of-the-art BQ techniques and Nested Sampling in various real-world datasets, including lithium-ion battery analytics.  ( 2 min )

Modern approaches to supervised learning like deep neural networks (DNNs) typically implicitly assume that observed responses are statistically independent. In contrast, correlated data are prevalent in real-life large-scale applications, with typical sources of correlation including spatial, temporal and clustering structures. These correlations are either ignored by DNNs, or ad-hoc solutions are developed for specific use cases. We propose to use the mixed models framework to handle correlated data in DNNs. By treating the effects underlying the correlation structure as random effects, mixed models are able to avoid overfitted parameter estimates and ultimately yield better predictive performance. The key to combining mixed models and DNNs is using the Gaussian negative log-likelihood (NLL) as a natural loss function that is minimized with DNN machinery including stochastic gradient descent (SGD). Since NLL does not decompose like standard DNN loss functions, the use of SGD with NLL presents some theoretical and implementation challenges, which we address. Our approach which we call LMMNN is demonstrated to improve performance over natural competitors in various correlation scenarios on diverse simulated and real datasets. Our focus is on a regression setting and tabular datasets, but we also show some results for classification. Our code is available at https://github.com/gsimchoni/lmmnn.  ( 2 min )

Real-world data for classification is often labeled by multiple annotators. For analyzing such data, we introduce CROWDLAB, a straightforward approach to utilize any trained classifier to estimate: (1) A consensus label for each example that aggregates the available annotations; (2) A confidence score for how likely each consensus label is correct; (3) A rating for each annotator quantifying the overall correctness of their labels. Existing algorithms to estimate related quantities in crowdsourcing often rely on sophisticated generative models with iterative inference. CROWDLAB instead uses a straightforward weighted ensemble. Existing algorithms often rely solely on annotator statistics, ignoring the features of the examples from which the annotations derive. CROWDLAB utilizes any classifier model trained on these features, and can thus better generalize between examples with similar features. On real-world multi-annotator image data, our proposed method provides superior estimates for (1)-(3) than existing algorithms like Dawid-Skene/GLAD.  ( 2 min )

Creating fast and accurate force fields is a long-standing challenge in computational chemistry and materials science. Recently, several equivariant message passing neural networks (MPNNs) have been shown to outperform models built using other approaches in terms of accuracy. However, most MPNNs suffer from high computational cost and poor scalability. We propose that these limitations arise because MPNNs only pass two-body messages leading to a direct relationship between the number of layers and the expressivity of the network. In this work, we introduce MACE, a new equivariant MPNN model that uses higher body order messages. In particular, we show that using four-body messages reduces the required number of message passing iterations to just two, resulting in a fast and highly parallelizable model, reaching or exceeding state-of-the-art accuracy on the rMD17, 3BPA, and AcAc benchmark tasks. We also demonstrate that using higher order messages leads to an improved steepness of the learning curves.  ( 2 min )

Recent progress in empirical and certified robustness promises to deliver reliable and deployable Deep Neural Networks (DNNs). Despite that success, most existing evaluations of DNN robustness have been done on images sampled from the same distribution on which the model was trained. However, in the real world, DNNs may be deployed in dynamic environments that exhibit significant distribution shifts. In this work, we take a first step towards thoroughly investigating the interplay between empirical and certified adversarial robustness on one hand and domain generalization on another. To do so, we train robust models on multiple domains and evaluate their accuracy and robustness on an unseen domain. We observe that: (1) both empirical and certified robustness generalize to unseen domains, and (2) the level of generalizability does not correlate well with input visual similarity, measured by the FID between source and target domains. We also extend our study to cover a real-world medical application, in which adversarial augmentation significantly boosts the generalization of robustness with minimal effect on clean data accuracy.  ( 2 min )

In e-commerce, the salience of commonsense knowledge (CSK) is beneficial for widespread applications such as product search and recommendation. For example, when users search for ``running'' in e-commerce, they would like to find products highly related to running, such as ``running shoes'' rather than ``shoes''. Nevertheless, many existing CSK collections rank statements solely by confidence scores, and there is no information about which ones are salient from a human perspective. In this work, we define the task of supervised salience evaluation, where given a CSK triple, the model is required to learn whether the triple is salient or not. In addition to formulating the new task, we also release a new Benchmark dataset of Salience Evaluation in E-commerce (BSEE) and hope to promote related research on commonsense knowledge salience evaluation. We conduct experiments in the dataset with several representative baseline models. The experimental results show that salience evaluation is a challenging task where models perform poorly on our evaluation set. We further propose a simple but effective approach, PMI-tuning, which shows promise for solving this novel problem. Code is available in \url{https://github.com/OpenBGBenchmark/OpenBG-CSK.  ( 2 min )

It has been increasingly demanding to develop reliable Graph Neural Network (GNN) evaluation methods to quantify the progress of the rapidly expanding GNN research. Existing GNN benchmarking methods focus on comparing the GNNs with respect to their performances on some node/graph classification/regression tasks in certain datasets. There lacks a principled, task-agnostic method to directly compare two GNNs. Moreover, most of the existing graph self-supervised learning (SSL) works incorporate handcrafted augmentations to the graph, which has several severe difficulties due to the unique characteristics of graph-structured data. To address the aforementioned issues, we propose GraphAC (Graph Adversarial Collaboration) -- a conceptually novel, principled, task-agnostic, and stable framework for evaluating GNNs through contrastive self-supervision. GraphAC succeeds in distinguishing GNNs of different expressiveness across various aspects, and has been proven to be a principled and reliable GNN evaluation method, eliminating the need for handcrafted augmentations for stable SSL.  ( 2 min )

This paper analyzes the convergence and generalization of training a one-hidden-layer neural network when the input features follow the Gaussian mixture model consisting of a finite number of Gaussian distributions. Assuming the labels are generated from a teacher model with an unknown ground truth weight, the learning problem is to estimate the underlying teacher model by minimizing a non-convex risk function over a student neural network. With a finite number of training samples, referred to the sample complexity, the iterations are proved to converge linearly to a critical point with guaranteed generalization error. In addition, for the first time, this paper characterizes the impact of the input distributions on the sample complexity and the learning rate.  ( 2 min )

We propose a novel high-performance, parameter and computationally efficient deep learning architecture for tabular data, Gated Additive Tree Ensemble(GATE). GATE uses a gating mechanism, inspired from GRU, as a feature representation learning unit with an in-built feature selection mechanism. We combine it with an ensemble of differentiable, non-linear decision trees, re-weighted with simple self-attention to predict our desired output. We demonstrate that GATE is a competitive alternative to SOTA approaches like GBDTs, NODE, FT Transformers, etc. by experiments on several public datasets (both classification and regression). We have made available the code at https://github.com/manujosephv/GATE under MIT License.  ( 2 min )

Large language models (LLMs) have displayed an impressive ability to harness natural language to perform complex tasks. In this work, we explore whether we can leverage this learned ability to find and explain patterns in data. Specifically, given a pre-trained LLM and data examples, we introduce interpretable autoprompting (iPrompt), an algorithm that generates a natural-language string explaining the data. iPrompt iteratively alternates between generating explanations with an LLM and reranking them based on their performance when used as a prompt. Experiments on a wide range of datasets, from synthetic mathematics to natural-language understanding, show that iPrompt can yield meaningful insights by accurately finding groundtruth dataset descriptions. Moreover, the prompts produced by iPrompt are simultaneously human-interpretable and highly effective for generalization: on real-world sentiment classification datasets, iPrompt produces prompts that match or even improve upon human-written prompts for GPT-3. Finally, experiments with an fMRI dataset show the potential for iPrompt to aid in scientific discovery. All code for using the methods and data here is made available on Github.  ( 2 min )

We consider a multi-agent multi-armed bandit setting in which $n$ honest agents collaborate over a network to minimize regret but $m$ malicious agents can disrupt learning arbitrarily. Assuming the network is the complete graph, existing algorithms incur $O( (m + K/n) \log (T) / \Delta )$ regret in this setting, where $K$ is the number of arms and $\Delta$ is the arm gap. For $m \ll K$, this improves over the single-agent baseline regret of $O(K\log(T)/\Delta)$. In this work, we show the situation is murkier beyond the case of a complete graph. In particular, we prove that if the state-of-the-art algorithm is used on the undirected line graph, honest agents can suffer (nearly) linear regret until time is doubly exponential in $K$ and $n$. In light of this negative result, we propose a new algorithm for which the $i$-th agent has regret $O( ( d_{\text{mal}}(i) + K/n) \log(T)/\Delta)$ on any connected and undirected graph, where $d_{\text{mal}}(i)$ is the number of $i$'s neighbors who are malicious. Thus, we generalize existing regret bounds beyond the complete graph (where $d_{\text{mal}}(i) = m$), and show the effect of malicious agents is entirely local (in the sense that only the $d_{\text{mal}}(i)$ malicious agents directly connected to $i$ affect its long-term regret).  ( 2 min )

We study statistical inference on the similarity/distance between two time-series under uncertain environment by considering a statistical hypothesis test on the distance obtained from Dynamic Time Warping (DTW) algorithm. The sampling distribution of the DTW distance is too difficult to derive because it is obtained based on the solution of the DTW algorithm, which is complicated. To circumvent this difficulty, we propose to employ the conditional selective inference framework, which enables us to derive a valid inference method on the DTW distance. To our knowledge, this is the first method that can provide a valid p-value to quantify the statistical significance of the DTW distance, which is helpful for high-stake decision making such as abnormal time-series detection problems. We evaluate the performance of the proposed inference method on both synthetic and real-world datasets.  ( 2 min )

Learning in neural networks is often framed as a problem in which targeted error signals are directly propagated to parameters and used to produce updates that induce more optimal network behaviour. Backpropagation of error (BP) is an example of such an approach and has proven to be a highly successful application of stochastic gradient descent to deep neural networks. We propose constrained parameter inference (COPI) as a new principle for learning. The COPI approach assumes that learning can be set up in a manner where parameters infer their own values based upon observations of their local neuron activities. We find that this estimation of network parameters is possible under the constraints of decorrelated neural inputs and top-down perturbations of neural states for credit assignment. We show that the decorrelation required for COPI allows learning at extremely high learning rates, competitive with that of adaptive optimizers, as used by BP. We further demonstrate that COPI affords a new approach to feature analysis and network compression. Finally, we argue that COPI may shed new light on learning in biological networks given the evidence for decorrelation in the brain.

Recent research has turned to Reinforcement Learning (RL) to solve challenging decision problems, as an alternative to hand-tuned heuristics. RL can learn good policies without the need for modeling the environment's dynamics. Despite this promise, RL remains an impractical solution for many real-world systems problems. A particularly challenging case occurs when the environment changes over time, i.e. it exhibits non-stationarity. In this work, we characterize the challenges introduced by non-stationarity, shed light on the range of approaches to them and develop a robust framework for addressing them to train RL agents in live systems. Such agents must explore and learn new environments, without hurting the system's performance, and remember them over time. To this end, our framework (i) identifies different environments encountered by the live system, (ii) triggers exploration when necessary, (iii) takes precautions to retain knowledge from prior environments, and (iv) employs safeguards to protect the system's performance when the RL agent makes mistakes. We apply our framework to two systems problems, straggler mitigation and adaptive video streaming, and evaluate it against a variety of alternative approaches using real-world and synthetic data. We show that all components of the framework are necessary to cope with non-stationarity and provide guidance on alternative design choices for each component.

AdaBoost is a classic boosting algorithm for combining multiple inaccurate classifiers produced by a weak learner, to produce a strong learner with arbitrarily high accuracy when given enough training data. Determining the optimal number of samples necessary to obtain a given accuracy of the strong learner, is a basic learning theoretic question. Larsen and Ritzert (NeurIPS'22) recently presented the first provably optimal weak-to-strong learner. However, their algorithm is somewhat complicated and it remains an intriguing question whether the prototypical boosting algorithm AdaBoost also makes optimal use of training samples. In this work, we answer this question in the negative. Concretely, we show that the sample complexity of AdaBoost, and other classic variations thereof, are sub-optimal by at least one logarithmic factor in the desired accuracy of the strong learner.  ( 2 min )

Neural network models become increasingly popular as dynamic modeling tools in the control community. They have many appealing features including nonlinear structures, being able to approximate any functions. While most researchers hold optimistic attitudes towards such models, this paper questions the capability of (deep) neural networks for the modeling of dynamic systems using input-output data. For the identification of linear time-invariant (LTI) dynamic systems, two representative neural network models, Long Short-Term Memory (LSTM) and Cascade Foward Neural Network (CFNN) are compared to the standard Prediction Error Method (PEM) of system identification. In the comparison, four essential aspects of system identification are considered, then several possible defects and neglected issues of neural network based modeling are pointed out. Detailed simulation studies are performed to verify these defects: for the LTI system, both LSTM and CFNN fail to deliver consistent models even in noise-free cases; and they give worse results than PEM in noisy cases.  ( 2 min )

Existing Deep Reinforcement Learning (DRL) algorithms suffer from sample inefficiency. Generally, episodic control-based approaches are solutions that leverage highly-rewarded past experiences to improve sample efficiency of DRL algorithms. However, previous episodic control-based approaches fail to utilize the latent information from the historical behaviors (e.g., state transitions, topological similarities, etc.) and lack scalability during DRL training. This work introduces Neural Episodic Control with State Abstraction (NECSA), a simple but effective state abstraction-based episodic control containing a more comprehensive episodic memory, a novel state evaluation, and a multi-step state analysis. We evaluate our approach to the MuJoCo and Atari tasks in OpenAI gym domains. The experimental results indicate that NECSA achieves higher sample efficiency than the state-of-the-art episodic control-based approaches. Our data and code are available at the project website\footnote{\url{https://sites.google.com/view/drl-necsa}}.  ( 2 min )

Recent years witnessed a remarkable increase in the availability of data and computing resources in communication networks. This contributed to the rise of data-driven over model-driven algorithms for network automation. This paper investigates a Minimization of Drive Tests (MDT)-driven Deep Reinforcement Learning (DRL) algorithm to optimize coverage and capacity by tuning antennas tilts on a cluster of cells from TIM's cellular network. We jointly utilize MDT data, electromagnetic simulations, and network Key Performance indicators (KPIs) to define a simulated network environment for the training of a Deep Q-Network (DQN) agent. Some tweaks have been introduced to the classical DQN formulation to improve the agent's sample efficiency, stability, and performance. In particular, a custom exploration policy is designed to introduce soft constraints at training time. Results show that the proposed algorithm outperforms baseline approaches like DQN and best-fist search in terms of long-term reward and sample efficiency. Our results indicate that MDT-driven approaches constitute a valuable tool for autonomous coverage and capacity optimization of mobile radio networks.

In this work, we present an analysis of the generalization of Neural Operators (NOs) and derived architectures. We proposed a family of networks, which we name (${\textit{s}}{\text{NO}}+\varepsilon$), where we modify the layout of NOs towards an architecture resembling a Transformer; mainly, we substitute the Attention module with the Integral Operator part of NOs. The resulting network preserves universality, has a better generalization to unseen data, and similar number of parameters as NOs. On the one hand, we study numerically the generalization by gradually transforming NOs into ${\textit{s}}{\text{NO}}+\varepsilon$ and verifying a reduction of the test loss considering a time-harmonic wave dataset with different frequencies. We perform the following changes in NOs: (a) we split the Integral Operator (non-local) and the (local) feed-forward network (MLP) into different layers, generating a {\it sequential} structure which we call sequential Neural Operator (${\textit{s}}{\text{NO}}$), (b) we add the skip connection, and layer normalization in ${\textit{s}}{\text{NO}}$, and (c) we incorporate dropout and stochastic depth that allows us to generate deep networks. In each case, we observe a decrease in the test loss in a wide variety of initialization, indicating that our changes outperform the NO. On the other hand, building on infinite-dimensional Statistics, and in particular the Dudley Theorem, we provide bounds of the Rademacher complexity of NOs and ${\textit{s}}{\text{NO}}$, and we find the following relationship: the upper bound of the Rademacher complexity of the ${\textit{s}}{\text{NO}}$ is a lower-bound of the NOs, thereby, the generalization error bound of ${\textit{s}}{\text{NO}}$ is smaller than NO, which further strengthens our numerical results.

Among the reasons hindering reinforcement learning (RL) applications to real-world problems, two factors are critical: limited data and the mismatch between the testing environment (real environment in which the policy is deployed) and the training environment (e.g., a simulator). This paper attempts to address these issues simultaneously with distributionally robust offline RL, where we learn a distributionally robust policy using historical data obtained from the source environment by optimizing against a worst-case perturbation thereof. In particular, we move beyond tabular settings and consider linear function approximation. More specifically, we consider two settings, one where the dataset is well-explored and the other where the dataset has sufficient coverage of the optimal policy. We propose two algorithms~-- one for each of the two settings~-- that achieve error bounds $\tilde{O}(d^{1/2}/N^{1/2})$ and $\tilde{O}(d^{3/2}/N^{1/2})$ respectively, where $d$ is the dimension in the linear function approximation and $N$ is the number of trajectories in the dataset. To the best of our knowledge, they provide the first non-asymptotic results of the sample complexity in this setting. Diverse experiments are conducted to demonstrate our theoretical findings, showing the superiority of our algorithm against the non-robust one.

Heavy-tail phenomena in stochastic gradient descent (SGD) have been reported in several empirical studies. Experimental evidence in previous works suggests a strong interplay between the heaviness of the tails and generalization behavior of SGD. To address this empirical phenomena theoretically, several works have made strong topological and statistical assumptions to link the generalization error to heavy tails. Very recently, new generalization bounds have been proven, indicating a non-monotonic relationship between the generalization error and heavy tails, which is more pertinent to the reported empirical observations. While these bounds do not require additional topological assumptions given that SGD can be modeled using a heavy-tailed stochastic differential equation (SDE), they can only apply to simple quadratic problems. In this paper, we build on this line of research and develop generalization bounds for a more general class of objective functions, which includes non-convex functions as well. Our approach is based on developing Wasserstein stability bounds for heavy-tailed SDEs and their discretizations, which we then convert to generalization bounds. Our results do not require any nontrivial assumptions; yet, they shed more light to the empirical observations, thanks to the generality of the loss functions.

This paper presents ExplainableFold, an explainable AI framework for protein structure prediction. Despite the success of AI-based methods such as AlphaFold in this field, the underlying reasons for their predictions remain unclear due to the black-box nature of deep learning models. To address this, we propose a counterfactual learning framework inspired by biological principles to generate counterfactual explanations for protein structure prediction, enabling a dry-lab experimentation approach. Our experimental results demonstrate the ability of ExplainableFold to generate high-quality explanations for AlphaFold's predictions, providing near-experimental understanding of the effects of amino acids on 3D protein structure. This framework has the potential to facilitate a deeper understanding of protein structures.

In medical genetics, each genetic variant is evaluated as an independent entity regarding its clinical importance. However, in most complex diseases, variant combinations in specific gene networks, rather than the presence of a particular single variant, predominates. In the case of complex diseases, disease status can be evaluated by considering the success level of a team of specific variants. We propose a high dimensional modelling based method to analyse all the variants in a gene network together. To evaluate our method, we selected two gene networks, mTOR and TGF-Beta. For each pathway, we generated 400 control and 400 patient group samples. mTOR and TGF-? pathways contain 31 and 93 genes of varying sizes, respectively. We produced Chaos Game Representation images for each gene sequence to obtain 2-D binary patterns. These patterns were arranged in succession, and a 3-D tensor structure was achieved for each gene network. Features for each data sample were acquired by exploiting Enhanced Multivariance Products Representation to 3-D data. Features were split as training and testing vectors. Training vectors were employed to train a Support Vector Machines classification model. We achieved more than 96% and 99% classification accuracies for mTOR and TGF-Beta networks, respectively, using a limited amount of training samples.

Modern deep learning techniques have illustrated their excellent capabilities in many areas, but relies on large training data. Optimization-based meta-learning train a model on a variety tasks, such that it can solve new learning tasks using only a small number of training samples.However, these methods assumes that training and test dataare identically and independently distributed. To overcome such limitation, in this paper, we propose invariant meta learning for out-of-distribution tasks. Specifically, invariant meta learning find invariant optimal meta-initialization,and fast adapt to out-of-distribution tasks with regularization penalty. Extensive experiments demonstrate the effectiveness of our proposed invariant meta learning on out-of-distribution few-shot tasks.

The intersection of social media, low-cost trading platforms, and naive investors has created an ideal situation for information-based market manipulations, especially pump&dumps. Manipulators accumulate small-cap stocks, disseminate false information on social media to inflate their price, and sell at the peak. We collect a dataset of stocks whose price and volume profiles have the characteristic shape of a pump&dump, and social media posts for those same stocks that match the timing of the initial price rises. From these we build predictive models for pump&dump events based on the language used in the social media posts. There are multiple difficulties: not every post will cause the intended market reaction, some pump&dump events may be triggered by posts in other forums, and there may be accidental confluences of post timing and market movements. Nevertheless, our best model achieves a prediction accuracy of 85% and an F1-score of 62%. Such a tool can provide early warning to investors and regulators that a pump&dump may be underway.

PCANet and its variants provided good accuracy results for classification tasks. However, despite the importance of network depth in achieving good classification accuracy, these networks were trained with a maximum of nine layers. In this paper, we introduce a residual compensation convolutional network, which is the first PCANet-like network trained with hundreds of layers while improving classification accuracy. The design of the proposed network consists of several convolutional layers, each followed by post-processing steps and a classifier. To correct the classification errors and significantly increase the network's depth, we train each layer with new labels derived from the residual information of all its preceding layers. This learning mechanism is accomplished by traversing the network's layers in a single forward pass without backpropagation or gradient computations. Our experiments on four distinct classification benchmarks (MNIST, CIFAR-10, CIFAR-100, and TinyImageNet) show that our deep network outperforms all existing PCANet-like networks and is competitive with several traditional gradient-based models.  ( 2 min )

Convolutional neural networks (CNN) have been successful in machine learning applications. Their success relies on their ability to consider space invariant local features. We consider the use of CNN to fit nuisance models in semiparametric estimation of the average causal effect of a treatment. In this setting, nuisance models are functions of pre-treatment covariates that need to be controlled for. In an application where we want to estimate the effect of early retirement on a health outcome, we propose to use CNN to control for time-structured covariates. Thus, CNN is used when fitting nuisance models explaining the treatment and the outcome. These fits are then combined into an augmented inverse probability weighting estimator yielding efficient and uniformly valid inference. Theoretically, we contribute by providing rates of convergence for CNN equipped with the rectified linear unit activation function and compare it to an existing result for feedforward neural networks. We also show when those rates guarantee uniformly valid inference. A Monte Carlo study is provided where the performance of the proposed estimator is evaluated and compared with other strategies. Finally, we give results on a study of the effect of early retirement on hospitalization using data covering the whole Swedish population.  ( 2 min )

Since the recent advent of regulations for data protection (e.g., the General Data Protection Regulation), there has been increasing demand in deleting information learned from sensitive data in pre-trained models without retraining from scratch. The inherent vulnerability of neural networks towards adversarial attacks and unfairness also calls for a robust method to remove or correct information in an instance-wise fashion, while retaining the predictive performance across remaining data. To this end, we define instance-wise unlearning, of which the goal is to delete information on a set of instances from a pre-trained model, by either misclassifying each instance away from its original prediction or relabeling the instance to a different label. We also propose two methods that reduce forgetting on the remaining data: 1) utilizing adversarial examples to overcome forgetting at the representation-level and 2) leveraging weight importance metrics to pinpoint network parameters guilty of propagating unwanted information. Both methods only require the pre-trained model and data instances to forget, allowing painless application to real-life settings where the entire training set is unavailable. Through extensive experimentation on various image classification benchmarks, we show that our approach effectively preserves knowledge of remaining data while unlearning given instances in both single-task and continual unlearning scenarios.  ( 2 min )

Critical servers can be secured against distributed denial of service (DDoS) attacks using proof of work (PoW) systems assisted by an Artificial Intelligence (AI) that learns contextual network request patterns. In this work, we introduce CAPoW, a context-aware anti-DDoS framework that injects latency adaptively during communication by utilizing context-aware PoW puzzles. In CAPoW, a security professional can define relevant request context attributes which can be learned by the AI system. These contextual attributes can include information about the user request, such as IP address, time, flow-level information, etc., and are utilized to generate a contextual score for incoming requests that influence the hardness of a PoW puzzle. These puzzles need to be solved by a user before the server begins to process their request. Solving puzzles slow down the volume of incoming adversarial requests. Additionally, the framework compels the adversary to incur a cost per request, hence making it expensive for an adversary to prolong a DDoS attack. We include the theoretical foundations of the CAPoW framework along with a description of its implementation and evaluation.

We propose a novel denoising diffusion generative model for predicting nonlinear fluid fields named FluidDiff. By performing a diffusion process, the model is able to learn a complex representation of the high-dimensional dynamic system, and then Langevin sampling is used to generate predictions for the flow state under specified initial conditions. The model is trained with finite, discrete fluid simulation data. We demonstrate that our model has the capacity to model the distribution of simulated training data and that it gives accurate predictions on the test data. Without encoded prior knowledge of the underlying physical system, it shares competitive performance with other deep learning models for fluid prediction, which is promising for investigation on new computational fluid dynamics methods.  ( 2 min )

Transfer learning for partial differential equations (PDEs) is to develop a pre-trained neural network that can be used to solve a wide class of PDEs. Existing transfer learning approaches require much information of the target PDEs such as its formulation and/or data of its solution for pre-training. In this work, we propose to construct transferable neural feature spaces from purely function approximation perspectives without using PDE information. The construction of the feature space involves re-parameterization of the hidden neurons and uses auxiliary functions to tune the resulting feature space. Theoretical analysis shows the high quality of the produced feature space, i.e., uniformly distributed neurons. Extensive numerical experiments verify the outstanding performance of our method, including significantly improved transferability, e.g., using the same feature space for various PDEs with different domains and boundary conditions, and the superior accuracy, e.g., several orders of magnitude smaller mean squared error than the state of the art methods.  ( 2 min )

Hyperspectral image denoising is unique for the highly similar and correlated spectral information that should be properly considered. However, existing methods show limitations in exploring the spectral correlations across different bands and feature interactions within each band. Besides, the low- and high-level features usually exhibit different importance for different spatial-spectral regions, which is not fully explored for current algorithms as well. In this paper, we present a Mixed Attention Network (MAN) that simultaneously considers the inter- and intra-spectral correlations as well as the interactions between low- and high-level spatial-spectral meaningful features. Specifically, we introduce a multi-head recurrent spectral attention that efficiently integrates the inter-spectral features across all the spectral bands. These features are further enhanced with a progressive spectral channel attention by exploring the intra-spectral relationships. Moreover, we propose an attentive skip-connection that adaptively controls the proportion of the low- and high-level spatial-spectral features from the encoder and decoder to better enhance the aggregated features. Extensive experiments show that our MAN outperforms existing state-of-the-art methods on simulated and real noise settings while maintaining a low cost of parameters and running time.

Federated Learning is a distributed machine learning environment, which ensures that clients complete collaborative training without sharing private data, only by exchanging parameters. However, the data does not satisfy the same distribution and the computing resources of clients are different, which brings challenges to the related research. To better solve the above heterogeneous problems, we designed a novel federated learning method. The local model consists of the pre-trained model as the backbone and fully connected layers as the head. The backbone can extract features for the head, and the embedding vector of classes is shared between clients to optimize the head so that the local model can perform better. By sharing the embedding vector of classes, instead of parameters based on gradient space, clients can better adapt to private data, and it is more efficient in the communication between the server and clients. To better protect privacy, we proposed a privacy-preserving hybrid method to add noise to the embedding vector of classes, which has less impact on the local model performance under the premise of satisfying differential privacy. We conduct a comprehensive evaluation with other federated learning methods on the self-built vehicle dataset under non-independent identically distributed(Non-IID)  ( 2 min )

In fair classification, it is common to train a model, and to compare and correct subgroup-specific error rates for disparities. However, even if a model's classification decisions satisfy a fairness metric, it is not necessarily the case that these decisions are equally confident. This becomes clear if we measure variance: We can fix everything in the learning process except the subset of training data, train multiple models, measure (dis)agreement in predictions for each test example, and interpret disagreement to mean that the learning process is more unstable with respect to its classification decision. Empirically, some decisions can in fact be so unstable that they are effectively arbitrary. To reduce this arbitrariness, we formalize a notion of self-consistency of a learning process, develop an ensembling algorithm that provably increases self-consistency, and empirically demonstrate its utility to often improve both fairness and accuracy. Further, our evaluation reveals a startling observation: Applying ensembling to common fair classification benchmarks can significantly reduce subgroup error rate disparities, without employing common pre-, in-, or post-processing fairness interventions. Taken together, our results indicate that variance, particularly on small datasets, can muddle the reliability of conclusions about fairness. One solution is to develop larger benchmark tasks. To this end, we release a toolkit that makes the Home Mortgage Disclosure Act datasets easily usable for future research.  ( 2 min )

Despite the great development of document summarization techniques nowadays, factual inconsistencies between the generated summaries and the original text still occur from time to time. This paper proposes a prefix-tuning-based approach that uses a set of trainable continuous prefix prompt together with discrete prompts to aid model generation, which makes a significant impact on both CNN/Daily Mail and XSum summaries generated using GPT-2. The improvements on fact preservation in the generated summaries indicates the effectiveness of adopting this prefix-tuning-based method in knowledge-enhanced document summarization, and also shows a great potential on other natural language processing tasks.  ( 2 min )

This paper studies the problem of learning a control policy without the need for interactions with the environment; instead, learning purely from an existing dataset. Prior work has demonstrated that offline learning algorithms (e.g., behavioural cloning and offline reinforcement learning) are more likely to discover a satisfactory policy when trained using high-quality expert data. However, many real-world/practical datasets can contain significant proportions of examples generated using low-skilled agents. Therefore, we propose a behaviour discriminator (BD) concept, a novel and simple data filtering approach based on semi-supervised learning, which can accurately discern expert data from a mixed-quality dataset. Our BD approach was used to pre-process the mixed-skill-level datasets from the Real Robot Challenge (RRC) III, an open competition requiring participants to solve several dexterous robotic manipulation tasks using offline learning methods; the new BD method allowed a standard behavioural cloning algorithm to outperform other more sophisticated offline learning algorithms. Moreover, we demonstrate that the new BD pre-processing method can be applied to a number of D4RL benchmark problems, improving the performance of multiple state-of-the-art offline reinforcement learning algorithms.  ( 2 min )

Large-scale data missing is a challenging problem in Intelligent Transportation Systems (ITS). Many studies have been carried out to impute large-scale traffic data by considering their spatiotemporal correlations at a network level. In existing traffic data imputations, however, rich semantic information of a road network has been largely ignored when capturing network-wide spatiotemporal correlations. This study proposes a Graph Transformer for Traffic Data Imputation (GT-TDI) model to impute large-scale traffic data with spatiotemporal semantic understanding of a road network. Specifically, the proposed model introduces semantic descriptions consisting of network-wide spatial and temporal information of traffic data to help the GT-TDI model capture spatiotemporal correlations at a network level. The proposed model takes incomplete data, the social connectivity of sensors, and semantic descriptions as input to perform imputation tasks with the help of Graph Neural Networks (GNN) and Transformer. On the PeMS freeway dataset, extensive experiments are conducted to compare the proposed GT-TDI model with conventional methods, tensor factorization methods, and deep learning-based methods. The results show that the proposed GT-TDI outperforms existing methods in complex missing patterns and diverse missing rates. The code of the GT-TDI model will be available at https://github.com/KP-Zhang/GT-TDI.  ( 2 min )

As research and practice in artificial intelligence (A.I.) grow in leaps and bounds, the resources necessary to sustain and support their operations also grow at an increasing pace. While innovations and applications from A.I. have brought significant advances, from applications to vision and natural language to improvements to fields like medical imaging and materials engineering, their costs should not be neglected. As we embrace a world with ever-increasing amounts of data as well as research and development of A.I. applications, we are sure to face an ever-mounting energy footprint to sustain these computational budgets, data storage needs, and more. But, is this sustainable and, more importantly, what kind of setting is best positioned to nurture such sustainable A.I. in both research and practice? In this paper, we outline our outlook for Green A.I. -- a more sustainable, energy-efficient and energy-aware ecosystem for developing A.I. across the research, computing, and practitioner communities alike -- and the steps required to arrive there. We present a bird's eye view of various areas for potential changes and improvements from the ground floor of AI's operational and hardware optimizations for datacenters/HPCs to the current incentive structures in the world of A.I. research and practice, and more. We hope these points will spur further discussion, and action, on some of these issues and their potential solutions.  ( 2 min )

Constrained Reinforcement Learning has been employed to enforce safety constraints on policy through the use of expected cost constraints. The key challenge is in handling expected cost accumulated using the policy and not just in a single step. Existing methods have developed innovative ways of converting this cost constraint over entire policy to constraints over local decisions (at each time step). While such approaches have provided good solutions with regards to objective, they can either be overly aggressive or conservative with respect to costs. This is owing to use of estimates for "future" or "backward" costs in local cost constraints. To that end, we provide an equivalent unconstrained formulation to constrained RL that has an augmented state space and reward penalties. This intuitive formulation is general and has interesting theoretical properties. More importantly, this provides a new paradigm for solving constrained RL problems effectively. As we show in our experimental results, we are able to outperform leading approaches on multiple benchmark problems from literature.

Several machine learning (ML) applications are characterized by searching for an optimal solution to a complex task. The search space for this optimal solution is often very large, so large in fact that this optimal solution is often not computable. Part of the problem is that many candidate solutions found via ML are actually infeasible and have to be discarded. Restricting the search space to only the feasible solution candidates simplifies finding an optimal solution for the tasks. Further, the set of feasible solutions could be re-used in multiple problems characterized by different tasks. In particular, we observe that complex tasks can be decomposed into subtasks and corresponding skills. We propose to learn a reusable and transferable skill by training an actor to generate all feasible actions. The trained actor can then propose feasible actions, among which an optimal one can be chosen according to a specific task. The actor is trained by interpreting the feasibility of each action as a target distribution. The training procedure minimizes a divergence of the actor's output distribution to this target. We derive the general optimization target for arbitrary f-divergences using a combination of kernel density estimates, resampling, and importance sampling. We further utilize an auxiliary critic to reduce the interactions with the environment. A preliminary comparison to related strategies shows that our approach learns to visit all the modes in the feasible action space, demonstrating the framework's potential for learning skills that can be used in various downstream tasks.

Social media is a modern person's digital voice to project and engage with new ideas and mobilise communities $\unicode{x2013}$ a power shared with extremists. Given the societal risks of unvetted content-moderating algorithms for Extremism, Radicalisation, and Hate speech (ERH) detection, responsible software engineering must understand the who, what, when, where, and why such models are necessary to protect user safety and free expression. Hence, we propose and examine the unique research field of ERH context mining to unify disjoint studies. Specifically, we evaluate the start-to-finish design process from socio-technical definition-building and dataset collection strategies to technical algorithm design and performance. Our 2015-2021 51-study Systematic Literature Review (SLR) provides the first cross-examination of textual, network, and visual approaches to detecting extremist affiliation, hateful content, and radicalisation towards groups and movements. We identify consensus-driven ERH definitions and propose solutions to existing ideological and geographic biases, particularly due to the lack of research in Oceania/Australasia. Our hybridised investigation on Natural Language Processing, Community Detection, and visual-text models demonstrates the dominating performance of textual transformer-based algorithms. We conclude with vital recommendations for ERH context mining researchers and propose an uptake roadmap with guidelines for researchers, industries, and governments to enable a safer cyberspace.  ( 2 min )

Semantic communication is a novel communication paradigm that focuses on recognizing and delivering the desired meaning of messages to the destination users. Most existing works in this area focus on delivering explicit semantics, labels or signal features that can be directly identified from the source signals. In this paper, we consider the implicit semantic communication problem in which hidden relations and closely related semantic terms that cannot be recognized from the source signals need to also be delivered to the destination user. We develop a novel adversarial learning-based implicit semantic-aware communication (iSAC) architecture in which the source user, instead of maximizing the total amount of information transmitted to the channel, aims to help the recipient learn an inference rule that can automatically generate implicit semantics based on limited clue information. We prove that by applying iSAC, the destination user can always learn an inference rule that matches the true inference rule of the source messages. Experimental results show that the proposed iSAC can offer up to a 19.69 dB improvement over existing non-inferential communication solutions, in terms of symbol error rate at the destination user.  ( 2 min )

In this article, we use probing to investigate phenomena that occur during fine-tuning and knowledge distillation of a BERT-based natural language understanding (NLU) model. Our ultimate purpose was to use probing to better understand practical production problems and consequently to build better NLU models. We designed experiments to see how fine-tuning changes the linguistic capabilities of BERT, what the optimal size of the fine-tuning dataset is, and what amount of information is contained in a distilled NLU based on a tiny Transformer. The results of the experiments show that the probing paradigm in its current form is not well suited to answer such questions. Structural, Edge and Conditional probes do not take into account how easy it is to decode probed information. Consequently, we conclude that quantification of information decodability is critical for many practical applications of the probing paradigm.  ( 2 min )

We study the problem of online learning in a two-player decentralized cooperative Stackelberg game. In each round, the leader first takes an action, followed by the follower who takes their action after observing the leader's move. The goal of the leader is to learn to minimize the cumulative regret based on the history of interactions. Differing from the traditional formulation of repeated Stackelberg games, we assume the follower is omniscient, with full knowledge of the true reward, and that they always best-respond to the leader's actions. We analyze the sample complexity of regret minimization in this repeated Stackelberg game. We show that depending on the reward structure, the existence of the omniscient follower may change the sample complexity drastically, from constant to exponential, even for linear cooperative Stackelberg games. This poses unique challenges for the learning process of the leader and the subsequent regret analysis.

Wasserstein gradient flows of maximum mean discrepancy (MMD) functionals with non-smooth Riesz kernels show a rich structure as singular measures can become absolutely continuous ones and conversely. In this paper we contribute to the understanding of such flows. We propose to approximate the backward scheme of Jordan, Kinderlehrer and Otto for computing such Wasserstein gradient flows as well as a forward scheme for so-called Wasserstein steepest descent flows by neural networks (NNs). Since we cannot restrict ourselves to absolutely continuous measures, we have to deal with transport plans and velocity plans instead of usual transport maps and velocity fields. Indeed, we approximate the disintegration of both plans by generative NNs which are learned with respect to appropriate loss functions. In order to evaluate the quality of both neural schemes, we benchmark them on the interaction energy. Here we provide analytic formulas for Wasserstein schemes starting at a Dirac measure and show their convergence as the time step size tends to zero. Finally, we illustrate our neural MMD flows by numerical examples.

As previous representations for reinforcement learning cannot effectively incorporate a human-intuitive understanding of the 3D environment, they usually suffer from sub-optimal performances. In this paper, we present Semantic-aware Neural Radiance Fields for Reinforcement Learning (SNeRL), which jointly optimizes semantic-aware neural radiance fields (NeRF) with a convolutional encoder to learn 3D-aware neural implicit representation from multi-view images. We introduce 3D semantic and distilled feature fields in parallel to the RGB radiance fields in NeRF to learn semantic and object-centric representation for reinforcement learning. SNeRL outperforms not only previous pixel-based representations but also recent 3D-aware representations both in model-free and model-based reinforcement learning.  ( 2 min )

Layout design is an important task in various design fields, including user interfaces, document, and graphic design. As this task requires tedious manual effort by designers, prior works have attempted to automate this process using generative models, but commonly fell short of providing intuitive user controls and achieving design objectives. In this paper, we build a conditional latent diffusion model, PLay, that generates parametrically conditioned layouts in vector graphic space from user-specified guidelines, which are commonly used by designers for representing their design intents in current practices. Our method outperforms prior works across three datasets on metrics including FID and FD-VG, and in user test. Moreover, it brings a novel and interactive experience to professional layout design processes.  ( 2 min )

Deep learning methods dominate short-term high-resolution precipitation nowcasting in terms of prediction error. However, their operational usability is limited by difficulties explaining dynamics behind the predictions, which are smoothed out and missing the high-frequency features due to optimizing for mean error loss functions. We experiment with hand-engineering of the advection-diffusion differential equation into a PhyCell to introduce more accurate physical prior to a PhyDNet model that disentangles physical and residual dynamics. Results indicate that while PhyCell can learn the intended dynamics, training of PhyDNet remains driven by loss optimization, resulting in a model with the same prediction capabilities.

Real-world data streams naturally include the repetition of previous concepts. From a Continual Learning (CL) perspective, repetition is a property of the environment and, unlike replay, cannot be controlled by the user. Nowadays, Class-Incremental scenarios represent the leading test-bed for assessing and comparing CL strategies. This family of scenarios is very easy to use, but it never allows revisiting previously seen classes, thus completely disregarding the role of repetition. We focus on the family of Class-Incremental with Repetition (CIR) scenarios, where repetition is embedded in the definition of the stream. We propose two stochastic scenario generators that produce a wide range of CIR scenarios starting from a single dataset and a few control parameters. We conduct the first comprehensive evaluation of repetition in CL by studying the behavior of existing CL strategies under different CIR scenarios. We then present a novel replay strategy that exploits repetition and counteracts the natural imbalance present in the stream. On both CIFAR100 and TinyImageNet, our strategy outperforms other replay approaches, which are not designed for environments with repetition.  ( 2 min )

Physics-based simulation of mesh based domains remains a challenging task. State-of-the-art techniques can produce realistic results but require expert knowledge. A major bottleneck in many approaches is the step of integrating a potential energy in order to compute velocities or displacements. Recently, learning based method for physics-based simulation have sparked interest with graph based approaches being a promising research direction. One of the challenges for these methods is to generate models that are mesh independent and generalize to different material properties. Moreover, the model should also be able to react to unforeseen external forces like ubiquitous collisions. Our contribution is based on a simple observation: evaluating forces is computationally relatively cheap for traditional simulation methods and can be computed in parallel in contrast to their integration. If we learn how a system reacts to forces in general, irrespective of their origin, we can learn an integrator that can predict state changes due to the total forces with high generalization power. We effectively factor out the physical model behind resulting forces by relying on an opaque force module. We demonstrate that this idea leads to a learnable module that can be trained on basic internal forces of small mesh patches and generalizes to different mesh typologies, resolutions, material parameters and unseen forces like collisions at inference time. Our proposed paradigm is general and can be used to model a variety of physical phenomena. We focus our exposition on the detail enhancement of coarse clothing geometry which has many applications including computer games, virtual reality and virtual try-on.  ( 2 min )

Bayesian Optimization Mixed-Precision Neural Architecture Search (BOMP-NAS) is an approach to quantization-aware neural architecture search (QA-NAS) that leverages both Bayesian optimization (BO) and mixed-precision quantization (MP) to efficiently search for compact, high performance deep neural networks. The results show that integrating quantization-aware fine-tuning (QAFT) into the NAS loop is a necessary step to find networks that perform well under low-precision quantization: integrating it allows a model size reduction of nearly 50\% on the CIFAR-10 dataset. BOMP-NAS is able to find neural networks that achieve state of the art performance at much lower design costs. This study shows that BOMP-NAS can find these neural networks at a 6x shorter search time compared to the closest related work.  ( 2 min )

This paper compares the parametric design space with a feature space generated by the extraction of design features using deep learning (DL) as an alternative way for design space exploration. In this comparison, the parametric design space is constructed by creating a synthetic dataset of 15.000 elements using a parametric algorithm and reducing its dimensions for visualization. The feature space - reduced-dimensionality vector space of embedded data features - is constructed by training a DL model on the same dataset. We analyze and compare the extracted design features by reducing their dimension and visualizing the results. We demonstrate that parametric design space is narrow in how it describes the design solutions because it is based on the combination of individual parameters. In comparison, we observed that the feature design space can intuitively represent design solutions according to complex parameter relationships. Based on our results, we discuss the potential of translating the features learned by DL models to provide a mechanism for intuitive design exploration space and visualization of possible design solutions.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.  ( 2 min )

Graphs are a natural representation of brain activity derived from functional magnetic imaging (fMRI) data. It is well known that clusters of anatomical brain regions, known as functional connectivity networks (FCNs), encode temporal relationships which can serve as useful biomarkers for understanding brain function and dysfunction. Previous works, however, ignore the temporal dynamics of the brain and focus on static graphs. In this paper, we propose a dynamic brain graph deep generative model (DBGDGM) which simultaneously clusters brain regions into temporally evolving communities and learns dynamic unsupervised node embeddings. Specifically, DBGDGM represents brain graph nodes as embeddings sampled from a distribution over communities that evolve over time. We parameterise this community distribution using neural networks that learn from subject and node embeddings as well as past community assignments. Experiments demonstrate DBGDGM outperforms baselines in graph generation, dynamic link prediction, and is comparable for graph classification. Finally, an analysis of the learnt community distributions reveals overlap with known FCNs reported in neuroscience literature.  ( 2 min )

The Bitcoin cryptocurrency has received much attention recently. In the network of Bitcoin, transactions are recorded in a ledger. In this network, the process of recording transactions depends on some nodes called miners that execute a protocol known as mining protocol. One of the significant aspects of mining protocol is incentive compatibility. However, literature has shown that Bitcoin mining's protocol is not incentive-compatible. Some nodes with high computational power can obtain more revenue than their fair share by adopting a type of attack called the selfish mining attack. In this paper, we propose an artificial intelligence-based defense against selfish mining attacks by applying the theory of learning automata. The proposed defense mechanism ignores private blocks by assigning weight based on block discovery time and changes current Bitcoin's fork resolving policy by evaluating branches' height difference in a self-adaptive manner utilizing learning automata. To the best of our knowledge, the proposed protocol is the literature's first learning-based defense mechanism. Simulation results have shown the superiority of the proposed mechanism against tie-breaking mechanism, which is a well-known defense. The simulation results have shown that the suggested defense mechanism increases the profit threshold up to 40\% and decreases the revenue of selfish attackers.  ( 2 min )

This work establishes rigorous, novel and widely applicable stability guarantees and transferability bounds for graph convolutional networks -- without reference to any underlying limit object or statistical distribution. Crucially, utilized graph-shift operators (GSOs) are not necessarily assumed to be normal, allowing for the treatment of networks on both directed- and for the first time also undirected graphs. Stability to node-level perturbations is related to an 'adequate (spectral) covering' property of the filters in each layer. Stability to edge-level perturbations is related to Lipschitz constants and newly introduced semi-norms of filters. Results on stability to topological perturbations are obtained through recently developed mathematical-physics based tools. As an important and novel example, it is showcased that graph convolutional networks are stable under graph-coarse-graining procedures (replacing strongly-connected sub-graphs by single nodes) precisely if the GSO is the graph Laplacian and filters are regular at infinity. These new theoretical results are supported by corresponding numerical investigations.  ( 2 min )

Multivariate time series (MTS) forecasting has penetrated and benefited our daily life. However, the unfair forecasting of MTSs not only degrades their practical benefit but even brings about serious potential risk. Such unfair MTS forecasting may be attributed to variable disparity leading to advantaged and disadvantaged variables. This issue has rarely been studied in the existing MTS forecasting models. To address this significant gap, we formulate the MTS fairness modeling problem as learning informative representations attending to both advantaged and disadvantaged variables. Accordingly, we propose a novel framework, named FairFor, for fairness-aware MTS forecasting. FairFor is based on adversarial learning to generate both group-irrelevant and -relevant representations for the downstream forecasting. FairFor first adopts the recurrent graph convolution to capture spatio-temporal variable correlations and to group variables by leveraging a spectral relaxation of the K-means objective. Then, it utilizes a novel filtering & fusion module to filter the group-relevant information and generate group-irrelevant representations by orthogonality regularization. The group-irrelevant and -relevant representations form highly informative representations, facilitating to share the knowledge from advantaged variables to disadvantaged variables and guarantee fairness. Extensive experiments on four public datasets demonstrate the FairFor effectiveness for fair forecasting and significant performance improvement.  ( 2 min )

We present a policy optimization framework in which the learned policy comes with a machine-checkable certificate of adversarial robustness. Our approach, called CAROL, learns a model of the environment. In each learning iteration, it uses the current version of this model and an external abstract interpreter to construct a differentiable signal for provable robustness. This signal is used to guide policy learning, and the abstract interpretation used to construct it directly leads to the robustness certificate returned at convergence. We give a theoretical analysis that bounds the worst-case accumulative reward of CAROL. We also experimentally evaluate CAROL on four MuJoCo environments. On these tasks, which involve continuous state and action spaces, CAROL learns certified policies that have performance comparable to the (non-certified) policies learned using state-of-the-art robust RL methods.  ( 2 min )

Low-dose Computed Tomography (LDCT) reconstruction is an important task in medical image analysis. Recent years have seen many deep learning based methods, proved to be effective in this area. However, these methods mostly follow a supervised architecture, which needs paired CT image of full dose and quarter dose, and the solution is highly dependent on specific measurements. In this work, we introduce Denoising Diffusion LDCT Model, dubbed as DDLM, generating noise-free CT image using conditioned sampling. DDLM uses pretrained model, and need no training nor tuning process, thus our proposal is in unsupervised manner. Experiments on LDCT images have shown comparable performance of DDLM using less inference time, surpassing other state-of-the-art methods, proving both accurate and efficient. Implementation code will be set to public soon.  ( 2 min )

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P-Ew water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules, and constitute an important step towards the modeling of distributions of many interacting molecules.  ( 2 min )

We introduce a self-learning algorithm for synthesizing programs for OEIS sequences. The algorithm starts from scratch initially generating programs at random. Then it runs many iterations of a self-learning loop that interleaves (i) training neural machine translation to learn the correspondence between sequences and the programs discovered so far, and (ii) proposing many new programs for each OEIS sequence by the trained neural machine translator. The algorithm discovers on its own programs for more than 78000 OEIS sequences, sometimes developing unusual programming methods. We analyze its behavior and the invented programs in several experiments.  ( 2 min )

In this paper, we take a holistic approach to deal with the tradeoffs between energy use and comfort in commercial buildings. We developed a system called OCTOPUS, which employs a novel deep reinforcement learning (DRL) framework that uses a data-driven approach to find the optimal control sequences of all building's subsystems, including HVAC, lighting, blind and window systems. The DRL architecture includes a novel reward function that allows the framework to explore the tradeoffs between energy use and users' comfort, while at the same time enabling the solution of the high-dimensional control problem due to the interactions of four different building subsystems. In order to cope with OCTOPUS's data training requirements, we argue that calibrated simulations that match the target building operational points are the vehicle to generate enough data to be able to train our DRL framework to find the control solution for the target building. In our work, we trained OCTOPUS with 10-year weather data and a building model that is implemented in the EnergyPlus building simulator, which was calibrated using data from a real production building. Through extensive simulations, we demonstrate that OCTOPUS can achieve 14.26% and 8.1% energy savings compared with the state-of-the-art rule-based method in a LEED Gold Certified building and the latest DRL-based method available in the literature respectively, while maintaining human comfort within a desired range.  ( 2 min )

The main goal of machine learning (ML) is to study and improve mathematical models which can be trained with data provided by the environment to infer the future and to make decisions without necessarily having complete knowledge of all influencing elements. In this work, we describe how ML can be a powerful tool in studying climate modeling. Tree ring growth was used as an implementation in different aspects, for example, studying the history of buildings and environment. By growing and via the time, a new layer of wood to beneath its bark by the tree. After years of growing, time series can be applied via a sequence of tree ring widths. The purpose of this paper is to use ML algorithms and Extreme Value Theory in order to analyse a set of tree ring widths data from nine trees growing in Nottinghamshire. Initially, we start by exploring the data through a variety of descriptive statistical approaches. Transforming data is important at this stage to find out any problem in modelling algorithm. We then use algorithm tuning and ensemble methods to improve the k-nearest neighbors (KNN) algorithm. A comparison between the developed method in this study ad other methods are applied. Also, extreme value of the dataset will be more investigated. The results of the analysis study show that the ML algorithms in the Random Forest method would give accurate results in the analysis of tree ring widths data from nine trees growing in Nottinghamshire with the lowest Root Mean Square Error value. Also, we notice that as the assumed ARMA model parameters increased, the probability of selecting the true model also increased. In terms of the Extreme Value Theory, the Weibull distribution would be a good choice to model tree ring data.  ( 2 min )

We study how training molds the Riemannian geometry induced by neural network feature maps. At infinite width, neural networks with random parameters induce highly symmetric metrics on input space. Feature learning in networks trained to perform classification tasks magnifies local areas along decision boundaries. These changes are consistent with previously proposed geometric approaches for hand-tuning of kernel methods to improve generalization.  ( 2 min )

As a few large-scale pre-trained models become the major choices of various applications, new challenges arise for model pruning, e.g., can we avoid pruning the same model from scratch for every downstream task? How to reuse the pruning results of previous tasks to accelerate the pruning for a new task? To address these challenges, we create a small model for a new task from the pruned models of similar tasks. We show that a few fine-tuning steps on this model suffice to produce a promising pruned-model for the new task. We study this ''meta-pruning'' from nearest tasks on two major classes of pre-trained models, convolutional neural network (CNN) and vision transformer (ViT), under a limited budget of pruning iterations. Our study begins by investigating the overlap of pruned models for similar tasks and how the overlap changes over different layers and blocks. Inspired by these discoveries, we develop a simple but effective ''Meta-Vote Pruning (MVP)'' method that significantly reduces the pruning iterations for a new task by initializing a sub-network from the pruned models of its nearest tasks. In experiments, we demonstrate MVP's advantages in accuracy, efficiency, and generalization through extensive empirical studies and comparisons with popular pruning methods over several datasets.  ( 2 min )

We present a model-based offline reinforcement learning policy performance lower bound that explicitly captures dynamics model misspecification and distribution mismatch and we propose an empirical algorithm for optimal offline policy selection. Theoretically, we prove a novel safe policy improvement theorem by establishing pessimism approximations to the value function. Our key insight is to jointly consider selecting over dynamics models and policies: as long as a dynamics model can accurately represent the dynamics of the state-action pairs visited by a given policy, it is possible to approximate the value of that particular policy. We analyze our lower bound in the LQR setting and also show competitive performance to previous lower bounds on policy selection across a set of D4RL tasks.  ( 2 min )

This paper introduces a new parameterization of deep neural networks (both fully-connected and convolutional) with guaranteed Lipschitz bounds, i.e. limited sensitivity to perturbations. The Lipschitz guarantees are equivalent to the tightest-known bounds based on certification via a semidefinite program (SDP), which does not scale to large models. In contrast to the SDP approach, we provide a ``direct'' parameterization, i.e. a smooth mapping from $\mathbb R^N$ onto the set of weights of Lipschitz-bounded networks. This enables training via standard gradient methods, without any computationally intensive projections or barrier terms. The new parameterization can equivalently be thought of as either a new layer type (the \textit{sandwich layer}), or a novel parameterization of standard feedforward networks with parameter sharing between neighbouring layers. We illustrate the method with some applications in image classification (MNIST and CIFAR-10).  ( 2 min )

This work develops a flexible and mathematically sound framework for the design and analysis of graph scattering networks with variable branching ratios and generic functional calculus filters. Spectrally-agnostic stability guarantees for node- and graph-level perturbations are derived; the vertex-set non-preserving case is treated by utilizing recently developed mathematical-physics based tools. Energy propagation through the network layers is investigated and related to truncation stability. New methods of graph-level feature aggregation are introduced and stability of the resulting composite scattering architectures is established. Finally, scattering transforms are extended to edge- and higher order tensorial input. Theoretical results are complemented by numerical investigations: Suitably chosen cattering networks conforming to the developed theory perform better than traditional graph-wavelet based scattering approaches in social network graph classification tasks and significantly outperform other graph-based learning approaches to regression of quantum-chemical energies on QM7.  ( 2 min )

Domain decomposition methods (DDMs) are popular solvers for discretized systems of partial differential equations (PDEs), with one-level and multilevel variants. These solvers rely on several algorithmic and mathematical parameters, prescribing overlap, subdomain boundary conditions, and other properties of the DDM. While some work has been done on optimizing these parameters, it has mostly focused on the one-level setting or special cases such as structured-grid discretizations with regular subdomain construction. In this paper, we propose multigrid graph neural networks (MG-GNN), a novel GNN architecture for learning optimized parameters in two-level DDMs\@. We train MG-GNN using a new unsupervised loss function, enabling effective training on small problems that yields robust performance on unstructured grids that are orders of magnitude larger than those in the training set. We show that MG-GNN outperforms popular hierarchical graph network architectures for this optimization and that our proposed loss function is critical to achieving this improved performance.  ( 2 min )

Modern CNNs are learning the weights of vast numbers of convolutional operators. In this paper, we raise the fundamental question if this is actually necessary. We show that even in the extreme case of only randomly initializing and never updating spatial filters, certain CNN architectures can be trained to surpass the accuracy of standard training. By reinterpreting the notion of pointwise ($1\times 1$) convolutions as an operator to learn linear combinations (LC) of frozen (random) spatial filters, we are able to analyze these effects and propose a generic LC convolution block that allows tuning of the linear combination rate. Empirically, we show that this approach not only allows us to reach high test accuracies on CIFAR and ImageNet but also has favorable properties regarding model robustness, generalization, sparsity, and the total number of necessary weights. Additionally, we propose a novel weight sharing mechanism, which allows sharing of a single weight tensor between all spatial convolution layers to massively reduce the number of weights.  ( 2 min )

Over the past few decades, a number of methods have been proposed for causal effect estimation, yet few have been demonstrated to be effective in handling data with complex structures, such as images. To fill this gap, we propose a Causal Multi-task Deep Ensemble (CMDE) framework to learn both shared and group-specific information from the study population and prove its equivalence to a multi-task Gaussian process (GP) with coregionalization kernel a priori. Compared to multi-task GP, CMDE efficiently handles high-dimensional and multi-modal covariates and provides pointwise uncertainty estimates of causal effects. We evaluate our method across various types of datasets and tasks and find that CMDE outperforms state-of-the-art methods on a majority of these tasks.  ( 2 min )

We propose a novel machine learning method based on differentiable vortex particles to infer and predict fluid dynamics from a single video. The key design of our system is a particle-based latent space to encapsulate the hidden, Lagrangian vortical evolution underpinning the observable, Eulerian flow phenomena. We devise a novel differentiable vortex particle system in conjunction with their learnable, vortex-to-velocity dynamics mapping to effectively capture and represent the complex flow features in a reduced space. We further design an end-to-end training pipeline to directly learn and synthesize simulators from data, that can reliably deliver future video rollouts based on limited observation. The value of our method is twofold: first, our learned simulator enables the inference of hidden physics quantities (e.g. velocity field) purely from visual observation, to be used for motion analysis; secondly, it also supports future prediction, constructing the input video's sequel along with its future dynamics evolution. We demonstrate our method's efficacy by comparing quantitatively and qualitatively with a range of existing methods on both synthetic and real-world videos, displaying improved data correspondence, visual plausibility, and physical integrity.  ( 2 min )

Maximization of mutual information between the model's input and output is formally related to "decisiveness" and "fairness" of the softmax predictions, motivating such unsupervised entropy-based losses for discriminative neural networks. Recent self-labeling methods based on such losses represent the state of the art in deep clustering. However, some important properties of entropy clustering are not well-known, or even misunderstood. For example, we provide a counterexample to prior claims about equivalence to variance clustering (K-means) and point out technical mistakes in such theories. We discuss the fundamental differences between these discriminative and generative clustering approaches. Moreover, we show the susceptibility of standard entropy clustering to narrow margins and motivate an explicit margin maximization term. We also propose an improved self-labeling loss; it is robust to pseudo-labeling errors and enforces stronger fairness. We develop an EM algorithm for our loss that is significantly faster than the standard alternatives. Our results improve the state-of-the-art on standard benchmarks.  ( 2 min )

Brain tumors are one of the life-threatening forms of cancer. Previous studies have classified brain tumors using deep neural networks. In this paper, we perform the later task using a collaborative deep learning technique, more specifically split learning. Split learning allows collaborative learning via neural networks splitting into two (or more) parts, a client-side network and a server-side network. The client-side is trained to a certain layer called the cut layer. Then, the rest of the training is resumed on the server-side network. Vertical distribution, a method for distributing data among organizations, was implemented where several hospitals hold different attributes of information for the same set of patients. To the best of our knowledge this paper will be the first paper to implement both split learning and vertical distribution for brain tumor classification. Using both techniques, we were able to achieve train and test accuracy greater than 90\% and 70\%, respectively.  ( 2 min )

Recently, remarkable progress has been made by approximating Nash equilibrium (NE), correlated equilibrium (CE), and coarse correlated equilibrium (CCE) through function approximation that trains a neural network to predict equilibria from game representations. Furthermore, equivariant architectures are widely adopted in designing such equilibrium approximators in normal-form games. In this paper, we theoretically characterize benefits and limitations of equivariant equilibrium approximators. For the benefits, we show that they enjoy better generalizability than general ones and can achieve better approximations when the payoff distribution is permutation-invariant. For the limitations, we discuss their drawbacks in terms of equilibrium selection and social welfare. Together, our results help to understand the role of equivariance in equilibrium approximators.  ( 2 min )

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.  ( 2 min )

Recent techniques that integrate \emph{solver layers} into Deep Neural Networks (DNNs) have shown promise in bridging a long-standing gap between inductive learning and symbolic reasoning techniques. In this paper we present a set of techniques for integrating \emph{Satisfiability Modulo Theories} (SMT) solvers into the forward and backward passes of a deep network layer, called SMTLayer. Using this approach, one can encode rich domain knowledge into the network in the form of mathematical formulas. In the forward pass, the solver uses symbols produced by prior layers, along with these formulas, to construct inferences; in the backward pass, the solver informs updates to the network, driving it towards representations that are compatible with the solver's theory. Notably, the solver need not be differentiable. We implement \layername as a Pytorch module, and our empirical results show that it leads to models that \emph{1)} require fewer training samples than conventional models, \emph{2)} that are robust to certain types of covariate shift, and \emph{3)} that ultimately learn representations that are consistent with symbolic knowledge, and thus naturally interpretable.  ( 2 min )

Structural learning, which aims to learn directed acyclic graphs (DAGs) from observational data, is foundational to causal reasoning and scientific discovery. Recent advancements formulate structural learning into a continuous optimization problem; however, DAG learning remains a highly non-convex problem, and there has not been much work on leveraging well-developed convex optimization techniques for causal structural learning. We fill this gap by proposing a data-adaptive linear approach for causal structural learning from time series data, which can be conveniently cast into a convex optimization problem using a recently developed monotone operator variational inequality (VI) formulation. Furthermore, we establish non-asymptotic recovery guarantee of the VI-based approach and show the superior performance of our proposed method on structure recovery over existing methods via extensive numerical experiments.  ( 2 min )

The recent discovery of the equivalence between infinitely wide neural networks (NNs) in the lazy training regime and Neural Tangent Kernels (NTKs) (Jacot et al., 2018) has revived interest in kernel methods. However, conventional wisdom suggests kernel methods are unsuitable for large samples due to their computational complexity and memory requirements. We introduce a novel random feature regression algorithm that allows us (when necessary) to scale to virtually infinite numbers of random features. We illustrate the performance of our method on the CIFAR-10 dataset.  ( 2 min )

Anomaly detection is an important task for complex systems (e.g., industrial facilities, manufacturing, large-scale science experiments), where failures in a sub-system can lead to low yield, faulty products, or even damage to components. While complex systems often have a wealth of data, labeled anomalies are typically rare (or even nonexistent) and expensive to acquire. In this paper, we introduce a new method, called CoAD, for training anomaly detection models on unlabeled data, based on the expectation that anomalous behavior in one sub-system will produce coincident anomalies in downstream sub-systems and products. Given data split into two streams $s$ and $q$ (i.e., subsystem diagnostics and final product quality), we define an unsupervised metric, $\hat{F}_\beta$, out of analogy to the supervised classification $F_\beta$ statistic, which quantifies the performance of the independent anomaly detection algorithms on s and q based on their coincidence rate. We demonstrate our method in four cases: a synthetic time-series data set, a synthetic imaging data set generated from MNIST, a metal milling data set, and a data set taken from a particle accelerator.  ( 2 min )

We study the causal bandit problem when the causal graph is unknown and develop an efficient algorithm for finding the parent node of the reward node using atomic interventions. We derive the exact equation for the expected number of interventions performed by the algorithm and show that under certain graphical conditions it could perform either logarithmically fast or, under more general assumptions, slower but still sublinearly in the number of variables. We formally show that our algorithm is optimal as it meets the universal lower bound we establish for any algorithm that performs atomic interventions. Finally, we extend our algorithm to the case when the reward node has multiple parents. Using this algorithm together with a standard algorithm from bandit literature leads to improved regret bounds.  ( 2 min )

One of the most challenging and consequential problems in climate modeling is to provide probabilistic projections of sea level rise. A large part of the uncertainty of sea level projections is due to uncertainty in ice sheet dynamics. At the moment, accurate quantification of the uncertainty is hindered by the cost of ice sheet computational models. In this work, we develop a hybrid approach to approximate existing ice sheet computational models at a fraction of their cost. Our approach consists of replacing the finite element model for the momentum equations for the ice velocity, the most expensive part of an ice sheet model, with a Deep Operator Network, while retaining a classic finite element discretization for the evolution of the ice thickness. We show that the resulting hybrid model is very accurate and it is an order of magnitude faster than the traditional finite element model. Further, a distinctive feature of the proposed model compared to other neural network approaches, is that it can handle high-dimensional parameter spaces (parameter fields) such as the basal friction at the bed of the glacier, and can therefore be used for generating samples for uncertainty quantification. We study the impact of hyper-parameters, number of unknowns and correlation length of the parameter distribution on the training and accuracy of the Deep Operator Network on a synthetic ice sheet model. We then target the evolution of the Humboldt glacier in Greenland and show that our hybrid model can provide accurate statistics of the glacier mass loss and can be effectively used to accelerate the quantification of uncertainty.  ( 2 min )

We theoretically study the impact of differential privacy on fairness in classification. We prove that, given a class of models, popular group fairness measures are pointwise Lipschitz-continuous with respect to the parameters of the model. This result is a consequence of a more general statement on accuracy conditioned on an arbitrary event (such as membership to a sensitive group), which may be of independent interest. We use the aforementioned Lipschitz property to prove a high probability bound showing that, given enough examples, the fairness level of private models is close to the one of their non-private counterparts.

To provide rigorous uncertainty quantification for online learning models, we develop a framework for constructing uncertainty sets that provably control risk -- such as coverage of confidence intervals, false negative rate, or F1 score -- in the online setting. This extends conformal prediction to apply to a larger class of online learning problems. Our method guarantees risk control at any user-specified level even when the underlying data distribution shifts drastically, even adversarially, over time in an unknown fashion. The technique we propose is highly flexible as it can be applied with any base online learning algorithm (e.g., a deep neural network trained online), requiring minimal implementation effort and essentially zero additional computational cost. We further extend our approach to control multiple risks simultaneously, so the prediction sets we generate are valid for all given risks. To demonstrate the utility of our method, we conduct experiments on real-world tabular time-series data sets showing that the proposed method rigorously controls various natural risks. Furthermore, we show how to construct valid intervals for an online image-depth estimation problem that previous sequential calibration schemes cannot handle.  ( 2 min )

Stochastic versions of proximal methods have gained much attention in statistics and machine learning. These algorithms tend to admit simple, scalable forms, and enjoy numerical stability via implicit updates. In this work, we propose and analyze a stochastic version of the recently proposed proximal distance algorithm, a class of iterative optimization methods that recover a desired constrained estimation problem as a penalty parameter $\rho \rightarrow \infty$. By uncovering connections to related stochastic proximal methods and interpreting the penalty parameter as the learning rate, we justify heuristics used in practical manifestations of the proximal distance method, establishing their convergence guarantees for the first time. Moreover, we extend recent theoretical devices to establish finite error bounds and a complete characterization of convergence rates regimes. We validate our analysis via a thorough empirical study, also showing that unsurprisingly, the proposed method outpaces batch versions on popular learning tasks.

How to do big portfolio selection is very important but challenging for both researchers and practitioners. In this paper, we propose a new graph-based conditional moments (GRACE) method to do portfolio selection based on thousands of stocks or more. The GRACE method first learns the conditional quantiles and mean of stock returns via a factor-augmented temporal graph convolutional network, which guides the learning procedure through a factor-hypergraph built by the set of stock-to-stock relations from the domain knowledge as well as the set of factor-to-stock relations from the asset pricing knowledge. Next, the GRACE method learns the conditional variance, skewness, and kurtosis of stock returns from the learned conditional quantiles by using the quantiled conditional moment (QCM) method. The QCM method is a supervised learning procedure to learn these conditional higher-order moments, so it largely overcomes the computational difficulty from the classical high-dimensional GARCH-type methods. Moreover, the QCM method allows the mis-specification in modeling conditional quantiles to some extent, due to its regression-based nature. Finally, the GRACE method uses the learned conditional mean, variance, skewness, and kurtosis to construct several performance measures, which are criteria to sort the stocks to proceed the portfolio selection in the well-known 10-decile framework. An application to NASDAQ and NYSE stock markets shows that the GRACE method performs much better than its competitors, particularly when the performance measures are comprised of conditional variance, skewness, and kurtosis.  ( 2 min )

Most personalised federated learning (FL) approaches assume that raw data of all clients are defined in a common subspace i.e. all clients store their data according to the same schema. For real-world applications, this assumption is restrictive as clients, having their own systems to collect and then store data, may use heterogeneous data representations. We aim at filling this gap. To this end, we propose a general framework coined FLIC that maps client's data onto a common feature space via local embedding functions. The common feature space is learnt in a federated manner using Wasserstein barycenters while the local embedding functions are trained on each client via distribution alignment. We integrate this distribution alignement mechanism into a federated learning approach and provide the algorithmics of FLIC. We compare its performances against FL benchmarks involving heterogeneous input features spaces. In addition, we provide theoretical insights supporting the relevance of our methodology.  ( 2 min )

In this work, we present an analysis of the generalization of Neural Operators (NOs) and derived architectures. We proposed a family of networks, which we name (${\textit{s}}{\text{NO}}+\varepsilon$), where we modify the layout of NOs towards an architecture resembling a Transformer; mainly, we substitute the Attention module with the Integral Operator part of NOs. The resulting network preserves universality, has a better generalization to unseen data, and similar number of parameters as NOs. On the one hand, we study numerically the generalization by gradually transforming NOs into ${\textit{s}}{\text{NO}}+\varepsilon$ and verifying a reduction of the test loss considering a time-harmonic wave dataset with different frequencies. We perform the following changes in NOs: (a) we split the Integral Operator (non-local) and the (local) feed-forward network (MLP) into different layers, generating a {\it sequential} structure which we call sequential Neural Operator (${\textit{s}}{\text{NO}}$), (b) we add the skip connection, and layer normalization in ${\textit{s}}{\text{NO}}$, and (c) we incorporate dropout and stochastic depth that allows us to generate deep networks. In each case, we observe a decrease in the test loss in a wide variety of initialization, indicating that our changes outperform the NO. On the other hand, building on infinite-dimensional Statistics, and in particular the Dudley Theorem, we provide bounds of the Rademacher complexity of NOs and ${\textit{s}}{\text{NO}}$, and we find the following relationship: the upper bound of the Rademacher complexity of the ${\textit{s}}{\text{NO}}$ is a lower-bound of the NOs, thereby, the generalization error bound of ${\textit{s}}{\text{NO}}$ is smaller than NO, which further strengthens our numerical results.  ( 2 min )

Explainability has become a central requirement for the development, deployment, and adoption of machine learning (ML) models and we are yet to understand what explanation methods can and cannot do. Several factors such as data, model prediction, hyperparameters used in training the model, and random initialization can all influence downstream explanations. While previous work empirically hinted that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we measure the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors (hyperparameters) (inputs to generate saliency-based Es or Ys). We discover that Y's relative direct influence on E follows an odd pattern; the influence is higher in the lowest-performing models than in mid-performing models, and it then decreases in the top-performing models. We believe our work is a promising first step towards providing better guidance for practitioners who can make more informed decisions in utilizing these explanations by knowing what factors are at play and how they relate to their end task.  ( 2 min )

Batch Bayesian optimisation (BO) has shown to be a sample-efficient method of performing optimisation where expensive-to-evaluate objective functions can be queried in parallel. However, current methods do not scale to large batch sizes -- a frequent desideratum in practice (e.g. drug discovery or simulation-based inference). We present a novel algorithm, SOBER, which permits scalable and diversified batch BO with arbitrary acquisition functions, arbitrary input spaces (e.g. graph), and arbitrary kernels. The key to our approach is to reformulate batch selection for BO as a Bayesian quadrature (BQ) problem, which offers computational advantages. This reformulation is beneficial in solving BQ tasks reciprocally, which introduces the exploitative functionality of BO to BQ. We show that SOBER offers substantive performance gains in synthetic and real-world tasks, including drug discovery and simulation-based inference.  ( 2 min )

Modern approaches to supervised learning like deep neural networks (DNNs) typically implicitly assume that observed responses are statistically independent. In contrast, correlated data are prevalent in real-life large-scale applications, with typical sources of correlation including spatial, temporal and clustering structures. These correlations are either ignored by DNNs, or ad-hoc solutions are developed for specific use cases. We propose to use the mixed models framework to handle correlated data in DNNs. By treating the effects underlying the correlation structure as random effects, mixed models are able to avoid overfitted parameter estimates and ultimately yield better predictive performance. The key to combining mixed models and DNNs is using the Gaussian negative log-likelihood (NLL) as a natural loss function that is minimized with DNN machinery including stochastic gradient descent (SGD). Since NLL does not decompose like standard DNN loss functions, the use of SGD with NLL presents some theoretical and implementation challenges, which we address. Our approach which we call LMMNN is demonstrated to improve performance over natural competitors in various correlation scenarios on diverse simulated and real datasets. Our focus is on a regression setting and tabular datasets, but we also show some results for classification. Our code is available at https://github.com/gsimchoni/lmmnn.  ( 2 min )

Though anomaly detection (AD) can be viewed as a classification problem (nominal vs. anomalous) it is usually treated in an unsupervised manner since one typically does not have access to, or it is infeasible to utilize, a dataset that sufficiently characterizes what it means to be "anomalous." In this paper we present results demonstrating that this intuition surprisingly seems not to extend to deep AD on images. For a recent AD benchmark on ImageNet, classifiers trained to discern between normal samples and just a few (64) random natural images are able to outperform the current state of the art in deep AD. Experimentally we discover that the multiscale structure of image data makes example anomalies exceptionally informative.  ( 2 min )

Actor-critic methods have achieved significant success in many challenging applications. However, its finite-time convergence is still poorly understood in its most practical form. Existing works on analyzing single-timescale actor-critic only focus on the i.i.d. sampling or tabular setting for simplicity. We consider the more practical online single-timescale actor-critic algorithm on continuous state space, where the critic is updated with a single Markovian sample per actor step. Existing analysis cannot conclude the convergence for such a challenging case. We prove that the online single-timescale actor-critic method is guaranteed to find an $\epsilon$-approximate stationary point with $\widetilde{\mathcal{O}}(\epsilon^{-2})$ sample complexity under standard assumptions, which can be further improved to $\mathcal{O}(\epsilon^{-2})$ under the i.i.d. sampling. We develop a novel framework that evaluates and controls the error propagation between actor and critic systematically. To our knowledge, this is the first finite-time analysis for the online single-timescale actor-critic method. Our results compare favorably to the existing literature in terms of considering the most practical yet challenging settings and requiring weaker assumptions.  ( 2 min )

Heavy-tail phenomena in stochastic gradient descent (SGD) have been reported in several empirical studies. Experimental evidence in previous works suggests a strong interplay between the heaviness of the tails and generalization behavior of SGD. To address this empirical phenomena theoretically, several works have made strong topological and statistical assumptions to link the generalization error to heavy tails. Very recently, new generalization bounds have been proven, indicating a non-monotonic relationship between the generalization error and heavy tails, which is more pertinent to the reported empirical observations. While these bounds do not require additional topological assumptions given that SGD can be modeled using a heavy-tailed stochastic differential equation (SDE), they can only apply to simple quadratic problems. In this paper, we build on this line of research and develop generalization bounds for a more general class of objective functions, which includes non-convex functions as well. Our approach is based on developing Wasserstein stability bounds for heavy-tailed SDEs and their discretizations, which we then convert to generalization bounds. Our results do not require any nontrivial assumptions; yet, they shed more light to the empirical observations, thanks to the generality of the loss functions.  ( 2 min )

Early stopping based on hold-out data is a popular regularization technique designed to mitigate overfitting and increase the predictive accuracy of neural networks. Models trained with early stopping often provide relatively accurate predictions, but they generally still lack precise statistical guarantees unless they are further calibrated using independent hold-out data. This paper addresses the above limitation with conformalized early stopping: a novel method that combines early stopping with conformal calibration while efficiently recycling the same hold-out data. This leads to models that are both accurate and able to provide exact predictive inferences without multiple data splits nor overly conservative adjustments. Practical implementations are developed for different learning tasks -- outlier detection, multi-class classification, regression -- and their competitive performance is demonstrated on real data.  ( 2 min )

We consider a multi-agent multi-armed bandit setting in which $n$ honest agents collaborate over a network to minimize regret but $m$ malicious agents can disrupt learning arbitrarily. Assuming the network is the complete graph, existing algorithms incur $O( (m + K/n) \log (T) / \Delta )$ regret in this setting, where $K$ is the number of arms and $\Delta$ is the arm gap. For $m \ll K$, this improves over the single-agent baseline regret of $O(K\log(T)/\Delta)$. In this work, we show the situation is murkier beyond the case of a complete graph. In particular, we prove that if the state-of-the-art algorithm is used on the undirected line graph, honest agents can suffer (nearly) linear regret until time is doubly exponential in $K$ and $n$. In light of this negative result, we propose a new algorithm for which the $i$-th agent has regret $O( ( d_{\text{mal}}(i) + K/n) \log(T)/\Delta)$ on any connected and undirected graph, where $d_{\text{mal}}(i)$ is the number of $i$'s neighbors who are malicious. Thus, we generalize existing regret bounds beyond the complete graph (where $d_{\text{mal}}(i) = m$), and show the effect of malicious agents is entirely local (in the sense that only the $d_{\text{mal}}(i)$ malicious agents directly connected to $i$ affect its long-term regret).  ( 2 min )

Among the reasons hindering reinforcement learning (RL) applications to real-world problems, two factors are critical: limited data and the mismatch between the testing environment (real environment in which the policy is deployed) and the training environment (e.g., a simulator). This paper attempts to address these issues simultaneously with distributionally robust offline RL, where we learn a distributionally robust policy using historical data obtained from the source environment by optimizing against a worst-case perturbation thereof. In particular, we move beyond tabular settings and consider linear function approximation. More specifically, we consider two settings, one where the dataset is well-explored and the other where the dataset has sufficient coverage of the optimal policy. We propose two algorithms~-- one for each of the two settings~-- that achieve error bounds $\tilde{O}(d^{1/2}/N^{1/2})$ and $\tilde{O}(d^{3/2}/N^{1/2})$ respectively, where $d$ is the dimension in the linear function approximation and $N$ is the number of trajectories in the dataset. To the best of our knowledge, they provide the first non-asymptotic results of the sample complexity in this setting. Diverse experiments are conducted to demonstrate our theoretical findings, showing the superiority of our algorithm against the non-robust one.  ( 2 min )

We study statistical inference on the similarity/distance between two time-series under uncertain environment by considering a statistical hypothesis test on the distance obtained from Dynamic Time Warping (DTW) algorithm. The sampling distribution of the DTW distance is too difficult to derive because it is obtained based on the solution of the DTW algorithm, which is complicated. To circumvent this difficulty, we propose to employ the conditional selective inference framework, which enables us to derive a valid inference method on the DTW distance. To our knowledge, this is the first method that can provide a valid p-value to quantify the statistical significance of the DTW distance, which is helpful for high-stake decision making such as abnormal time-series detection problems. We evaluate the performance of the proposed inference method on both synthetic and real-world datasets.  ( 2 min )

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.  ( 2 min )

Transfer learning is an emerging and popular paradigm for utilizing existing knowledge from previous learning tasks to improve the performance of new ones. Despite its numerous empirical successes, theoretical analysis for transfer learning is limited. In this paper we build for the first time, to the best of our knowledge, a mathematical framework for the general procedure of transfer learning. Our unique reformulation of transfer learning as an optimization problem allows for the first time, analysis of its feasibility. Additionally, we propose a novel concept of transfer risk to evaluate transferability of transfer learning. Our numerical studies using the Office-31 dataset demonstrate the potential and benefits of incorporating transfer risk in the evaluation of transfer learning performance.  ( 2 min )

As a framework for sequential decision-making, Reinforcement Learning (RL) has been regarded as an essential component leading to Artificial General Intelligence (AGI). However, RL is often criticized for having the same training environment as the test one, which also hinders its application in the real world. To mitigate this problem, Distributionally Robust RL (DRRL) is proposed to improve the worst performance in a set of environments that may contain the unknown test environment. Due to the nonlinearity of the robustness goal, most of the previous work resort to the model-based approach, learning with either an empirical distribution learned from the data or a simulator that can be sampled infinitely, which limits their applications in simple dynamics environments. In contrast, we attempt to design a DRRL algorithm that can be trained along a single trajectory, i.e., no repeated sampling from a state. Based on the standard Q-learning, we propose distributionally robust Q-learning with the single trajectory (DRQ) and its average-reward variant named differential DRQ. We provide asymptotic convergence guarantees and experiments for both settings, demonstrating their superiority in the perturbed environments against the non-robust ones.  ( 2 min )

We examine the problem of obtaining fair outcomes for individuals who choose to share optional information with machine-learned models and those who do not consent and keep their data undisclosed. We find that these non-consenting users receive significantly lower prediction outcomes than justified by their provided information alone. This observation gives rise to the overlooked problem of how to ensure that users, who protect their personal data, are not penalized. While statistical fairness notions focus on fair outcomes between advantaged and disadvantaged groups, these fairness notions fail to protect the non-consenting users. To address this problem, we formalize protection requirements for models which (i) allow users to benefit from sharing optional information and (ii) do not penalize them if they keep their data undisclosed. We offer the first solution to this problem by proposing the notion of Optional Feature Fairness (OFF), which we prove to be loss-optimal under our protection requirements (i) and (ii). To learn OFF-compliant models, we devise a model-agnostic data augmentation strategy with finite sample convergence guarantees. Finally, we extensively analyze OFF on a variety of challenging real-world tasks, models, and data sets with multiple optional features.  ( 2 min )

Bi-stochastic normalization provides an alternative normalization of graph Laplacians in graph-based data analysis and can be computed efficiently by Sinkhorn-Knopp (SK) iterations. This paper proves the convergence of bi-stochastically normalized graph Laplacian to manifold (weighted-)Laplacian with rates, when $n$ data points are i.i.d. sampled from a general $d$-dimensional manifold embedded in a possibly high-dimensional space. Under certain joint limit of $n \to \infty$ and kernel bandwidth $\epsilon \to 0$, the point-wise convergence rate of the graph Laplacian operator (under 2-norm) is proved to be $ O( n^{-1/(d/2+3)})$ at finite large $n$ up to log factors, achieved at the scaling of $\epsilon \sim n^{-1/(d/2+3)} $. When the manifold data are corrupted by outlier noise, we theoretically prove the graph Laplacian point-wise consistency which matches the rate for clean manifold data plus an additional term proportional to the boundedness of the inner-products of the noise vectors among themselves and with data vectors. Motivated by our analysis, which suggests that not exact bi-stochastic normalization but an approximate one will achieve the same consistency rate, we propose an approximate and constrained matrix scaling problem that can be solved by SK iterations with early termination. Numerical experiments support our theoretical results and show the robustness of bi-stochastically normalized graph Laplacian to high-dimensional outlier noise.  ( 2 min )

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact (log-)marginal likelihood. While VAEs are commonly used for representation learning, it is unclear why ELBO maximization would yield useful representations, since unregularized maximum likelihood estimation cannot invert the data-generating process. Yet, VAEs often succeed at this task. We seek to elucidate this apparent paradox by studying nonlinear VAEs in the limit of near-deterministic decoders. We first prove that, in this regime, the optimal encoder approximately inverts the decoder -- a commonly used but unproven conjecture -- which we refer to as {\em self-consistency}. Leveraging self-consistency, we show that the ELBO converges to a regularized log-likelihood. This allows VAEs to perform what has recently been termed independent mechanism analysis (IMA): it adds an inductive bias towards decoders with column-orthogonal Jacobians, which helps recovering the true latent factors. The gap between ELBO and log-likelihood is therefore welcome, since it bears unanticipated benefits for nonlinear representation learning. In experiments on synthetic and image data, we show that VAEs uncover the true latent factors when the data generating process satisfies the IMA assumption.  ( 2 min )

In this paper, we present a unified and general framework for analyzing the batch updating approach to nonlinear, high-dimensional optimization. The framework encompasses all the currently used batch updating approaches, and is applicable to nonconvex as well as convex functions. Moreover, the framework permits the use of noise-corrupted gradients, as well as first-order approximations to the gradient (sometimes referred to as "gradient-free" approaches). By viewing the analysis of the iterations as a problem in the convergence of stochastic processes, we are able to establish a very general theorem, which includes most known convergence results for zeroth-order and first-order methods. The analysis of "second-order" or momentum-based methods is not a part of this paper, and will be studied elsewhere. However, numerical experiments indicate that momentum-based methods can fail if the true gradient is replaced by its first-order approximation. This requires further theoretical analysis.  ( 2 min )

Large language models (LLMs) have displayed an impressive ability to harness natural language to perform complex tasks. In this work, we explore whether we can leverage this learned ability to find and explain patterns in data. Specifically, given a pre-trained LLM and data examples, we introduce interpretable autoprompting (iPrompt), an algorithm that generates a natural-language string explaining the data. iPrompt iteratively alternates between generating explanations with an LLM and reranking them based on their performance when used as a prompt. Experiments on a wide range of datasets, from synthetic mathematics to natural-language understanding, show that iPrompt can yield meaningful insights by accurately finding groundtruth dataset descriptions. Moreover, the prompts produced by iPrompt are simultaneously human-interpretable and highly effective for generalization: on real-world sentiment classification datasets, iPrompt produces prompts that match or even improve upon human-written prompts for GPT-3. Finally, experiments with an fMRI dataset show the potential for iPrompt to aid in scientific discovery. All code for using the methods and data here is made available on Github.  ( 2 min )

Bayesian model comparison (BMC) offers a principled approach for assessing the relative merits of competing computational models and propagating uncertainty into model selection decisions. However, BMC is often intractable for the popular class of hierarchical models due to their high-dimensional nested parameter structure. To address this intractability, we propose a deep learning method for performing BMC on any set of hierarchical models which can be instantiated as probabilistic programs. Since our method enables amortized inference, it allows efficient re-estimation of posterior model probabilities and fast performance validation prior to any real-data application. In a series of extensive validation studies, we benchmark the performance of our method against the state-of-the-art bridge sampling method and demonstrate excellent amortized inference across all BMC settings. We then use our method to compare four hierarchical evidence accumulation models that have previously been deemed intractable for BMC due to partly implicit likelihoods. In this application, we corroborate evidence for the recently proposed L\'evy flight model of decision-making and show how transfer learning can be leveraged to enhance training efficiency. Reproducible code for all analyses is provided.  ( 2 min )

Real-world data for classification is often labeled by multiple annotators. For analyzing such data, we introduce CROWDLAB, a straightforward approach to utilize any trained classifier to estimate: (1) A consensus label for each example that aggregates the available annotations; (2) A confidence score for how likely each consensus label is correct; (3) A rating for each annotator quantifying the overall correctness of their labels. Existing algorithms to estimate related quantities in crowdsourcing often rely on sophisticated generative models with iterative inference. CROWDLAB instead uses a straightforward weighted ensemble. Existing algorithms often rely solely on annotator statistics, ignoring the features of the examples from which the annotations derive. CROWDLAB utilizes any classifier model trained on these features, and can thus better generalize between examples with similar features. On real-world multi-annotator image data, our proposed method provides superior estimates for (1)-(3) than existing algorithms like Dawid-Skene/GLAD.  ( 2 min )

Suppose there are $N$ units and $D$ interventions. We aim to learn the average potential outcome associated with every unit-intervention pair, i.e., $N \times D$ causal parameters. While running $N \times D$ experiments is conceivable, it can be expensive or infeasible. This work introduces an experiment design, synthetic A/B testing, and the synthetic interventions (SI) estimator to recover all $N \times D$ causal parameters while observing each unit under at most two interventions, independent of $D$. Under a novel tensor factor model for potential outcomes across units, measurements, and interventions, we establish the identification of each parameter. Further, we show the SI estimator is finite-sample consistent and asymptotically normal. Collectively, these also lead to novel results for panel data settings, particularly for synthetic controls. We empirically validate our experiment design using real e-commerce data from a large-scale A/B test.  ( 2 min )

We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalized densities. The KSD is defined by its Stein operator: current operators used in testing apply to fixed-dimensional spaces. As our main contribution, we extend the KSD to the variable-dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalized, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.  ( 2 min )

Personalised federated learning (FL) aims at collaboratively learning a machine learning model taylored for each client. Albeit promising advances have been made in this direction, most of existing approaches works do not allow for uncertainty quantification which is crucial in many applications. In addition, personalisation in the cross-device setting still involves important issues, especially for new clients or those having small number of observations. This paper aims at filling these gaps. To this end, we propose a novel methodology coined FedPop by recasting personalised FL into the population modeling paradigm where clients' models involve fixed common population parameters and random effects, aiming at explaining data heterogeneity. To derive convergence guarantees for our scheme, we introduce a new class of federated stochastic optimisation algorithms which relies on Markov chain Monte Carlo methods. Compared to existing personalised FL methods, the proposed methodology has important benefits: it is robust to client drift, practical for inference on new clients, and above all, enables uncertainty quantification under mild computational and memory overheads. We provide non-asymptotic convergence guarantees for the proposed algorithms and illustrate their performances on various personalised federated learning tasks.  ( 2 min )

We study constrained clustering, where constraints guide the clustering process. In existing works, two categories of constraints have been widely explored, namely pairwise and cardinality constraints. Pairwise constraints enforce the cluster labels of two instances to be the same (must-link constraints) or different (cannot-link constraints). Cardinality constraints encourage cluster sizes to satisfy a user-specified distribution. Most existing constrained clustering models can only utilize one category of constraints at a time. We enforce the above two categories into a unified clustering model starting with the integer program formulation of the standard K-means. As the two categories provide different useful information, utilizing both allow for better clustering performance. However, the optimization is difficult due to the binary and quadratic constraints in the unified formulation. To solve this, we utilize two techniques: equivalently replacing the binary constraints by the intersection of two continuous constraints; the other is transforming the quadratic constraints into bi-linear constraints by introducing extra variables. We derive an equivalent continuous reformulation with simple constraints, which can be efficiently solved by Alternating Direction Method of Multipliers. Extensive experiments on both synthetic and real data demonstrate when: (1) utilizing a single category of constraint, the proposed model is superior to or competitive with SOTA constrained clustering models, and (2) utilizing both categories of constraints jointly, the proposed model shows better performance than the case of the single category. The experiments show that the proposed method exploits the constraints to achieve perfect clustering performance with improved clustering to 2%-5% in classical clustering metrics, e.g. Adjusted Random, Mirkin's, and Huber's, indices outerperfomring other methods.  ( 2 min )

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of parallelisation has hindered its practical applications. In this work, we propose a parallelised (batch) BQ method, employing techniques from kernel quadrature, that possesses an empirically exponential convergence rate. Additionally, just as with Nested Sampling, our method permits simultaneous inference of both posteriors and model evidence. Samples from our BQ surrogate model are re-selected to give a sparse set of samples, via a kernel recombination algorithm, requiring negligible additional time to increase the batch size. Empirically, we find that our approach significantly outperforms the sampling efficiency of both state-of-the-art BQ techniques and Nested Sampling in various real-world datasets, including lithium-ion battery analytics.  ( 2 min )

Lifelong learning aims to create AI systems that continuously and incrementally learn during a lifetime, similar to biological learning. Attempts so far have met problems, including catastrophic forgetting, interference among tasks, and the inability to exploit previous knowledge. While considerable research has focused on learning multiple input distributions, typically in classification, lifelong reinforcement learning (LRL) must also deal with variations in the state and transition distributions, and in the reward functions. Modulating masks, recently developed for classification, are particularly suitable to deal with such a large spectrum of task variations. In this paper, we adapted modulating masks to work with deep LRL, specifically PPO and IMPALA agents. The comparison with LRL baselines in both discrete and continuous RL tasks shows superior performance. We further investigated the use of a linear combination of previously learned masks to exploit previous knowledge when learning new tasks: not only is learning faster, the algorithm solves tasks that we could not otherwise solve from scratch due to extremely sparse rewards. The results suggest that RL with modulating masks is a promising approach to lifelong learning, to the composition of knowledge to learn increasingly complex tasks, and to knowledge reuse for efficient and faster learning.  ( 2 min )

We propose a continuous optimization framework for discovering a latent directed acyclic graph (DAG) from observational data. Our approach optimizes over the polytope of permutation vectors, the so-called Permutahedron, to learn a topological ordering. Edges can be optimized jointly, or learned conditional on the ordering via a non-differentiable subroutine. Compared to existing continuous optimization approaches our formulation has a number of advantages including: 1. validity: optimizes over exact DAGs as opposed to other relaxations optimizing approximate DAGs; 2. modularity: accommodates any edge-optimization procedure, edge structural parameterization, and optimization loss; 3. end-to-end: either alternately iterates between node-ordering and edge-optimization, or optimizes them jointly. We demonstrate, on real-world data problems in protein-signaling and transcriptional network discovery, that our approach lies on the Pareto frontier of two key metrics, the SID and SHD.  ( 2 min )

Machine learning (ML) models can underperform on certain population groups due to choices made during model development and bias inherent in the data. We categorize sources of discrimination in the ML pipeline into two classes: aleatoric discrimination, which is inherent in the data distribution, and epistemic discrimination, which is due to decisions during model development. We quantify aleatoric discrimination by determining the performance limits of a model under fairness constraints, assuming perfect knowledge of the data distribution. We demonstrate how to characterize aleatoric discrimination by applying Blackwell's results on comparing statistical experiments. We then quantify epistemic discrimination as the gap between a model's accuracy given fairness constraints and the limit posed by aleatoric discrimination. We apply this approach to benchmark existing interventions and investigate fairness risks in data with missing values. Our results indicate that state-of-the-art fairness interventions are effective at removing epistemic discrimination. However, when data has missing values, there is still significant room for improvement in handling aleatoric discrimination.  ( 2 min )

In the face of uncertainty, the need for probabilistic assessments has long been recognized in the literature on forecasting. In classification, however, comparative evaluation of classifiers often focuses on predictions specifying a single class through the use of simple accuracy measures, which disregard any probabilistic uncertainty quantification. I propose probabilistic top lists as a novel type of prediction in classification, which bridges the gap between single-class predictions and predictive distributions. The probabilistic top list functional is elicitable through the use of strictly consistent evaluation metrics. The proposed evaluation metrics are based on symmetric proper scoring rules and admit comparison of various types of predictions ranging from single-class point predictions to fully specified predictive distributions. The Brier score yields a metric that is particularly well suited for this kind of comparison.  ( 2 min )

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.  ( 2 min )

Recently, graph neural networks (GNNs) have shown success at learning representations of brain graphs derived from functional magnetic resonance imaging (fMRI) data. The majority of existing GNN methods, however, assume brain graphs are static over time and the graph adjacency matrix is known prior to model training. These assumptions are at odds with neuroscientific evidence that brain graphs are time-varying with a connectivity structure that depends on the choice of functional connectivity measure. Noisy brain graphs that do not truly represent the underling fMRI data can have a detrimental impact on the performance of GNNs. As a solution, we propose Dynamic Brain Graph Structure Learning (DBGSL), a novel method for learning the optimal time-varying dependency structure of fMRI data induced by a downstream prediction task. Experiments demonstrate DBGSL achieves state-of-the-art performance for sex classification using real-world resting-state and task fMRI data. Moreover, analysis of the learnt dynamic graphs highlights prediction-related brain regions which align with existing neuroscience literature.  ( 2 min )

Deep neural networks (DNNs) have proven to be highly effective in a variety of tasks, making them the go-to method for problems requiring high-level predictive power. Despite this success, the inner workings of DNNs are often not transparent, making them difficult to interpret or understand. This lack of interpretability has led to increased research on inherently interpretable neural networks in recent years. Models such as Neural Additive Models (NAMs) achieve visual interpretability through the combination of classical statistical methods with DNNs. However, these approaches only concentrate on mean response predictions, leaving out other properties of the response distribution of the underlying data. We propose Neural Additive Models for Location Scale and Shape (NAMLSS), a modelling framework that combines the predictive power of classical deep learning models with the inherent advantages of distributional regression while maintaining the interpretability of additive models.  ( 2 min )

We present Myriad, a testbed written in JAX for learning and planning in real-world continuous environments. The primary contributions of Myriad are threefold. First, Myriad provides machine learning practitioners access to trajectory optimization techniques for application within a typical automatic differentiation workflow. Second, Myriad presents many real-world optimal control problems, ranging from biology to medicine to engineering, for use by the machine learning community. Formulated in continuous space and time, these environments retain some of the complexity of real-world systems often abstracted away by standard benchmarks. As such, Myriad strives to serve as a stepping stone towards application of modern machine learning techniques for impactful real-world tasks. Finally, we use the Myriad repository to showcase a novel approach for learning and control tasks. Trained in a fully end-to-end fashion, our model leverages an implicit planning module over neural ordinary differential equations, enabling simultaneous learning and planning with complex environment dynamics.  ( 2 min )

How best to incorporate historical data to "warm start" bandit algorithms is an open question: naively initializing reward estimates using all historical samples can suffer from spurious data and imbalanced data coverage, leading to computational and storage issues $\unicode{x2014}$ particularly salient in continuous action spaces. We propose Artificial Replay, a meta-algorithm for incorporating historical data into any arbitrary base bandit algorithm. Artificial Replay uses only a fraction of the historical data compared to a full warm-start approach, while still achieving identical regret for base algorithms that satisfy independence of irrelevant data (IIData), a novel and broadly applicable property that we introduce. We complement these theoretical results with experiments on $K$-armed and continuous combinatorial bandit algorithms, including a green security domain using real poaching data. We show the practical benefits of Artificial Replay, including for base algorithms that do not satisfy IIData.  ( 2 min )

We study the error of linear regression in the face of adversarial attacks. In this framework, an adversary changes the input to the regression model in order to maximize the prediction error. We provide bounds on the prediction error in the presence of an adversary as a function of the parameter norm and the error in the absence of such an adversary. We show how these bounds make it possible to study the adversarial error using analysis from non-adversarial setups. The obtained results shed light on the robustness of overparameterized linear models to adversarial attacks. Adding features might be either a source of additional robustness or brittleness. On the one hand, we use asymptotic results to illustrate how double-descent curves can be obtained for the adversarial error. On the other hand, we derive conditions under which the adversarial error can grow to infinity as more features are added, while at the same time, the test error goes to zero. We show this behavior is caused by the fact that the norm of the parameter vector grows with the number of features. It is also established that $\ell_\infty$ and $\ell_2$-adversarial attacks might behave fundamentally differently due to how the $\ell_1$ and $\ell_2$-norms of random projections concentrate. We also show how our reformulation allows for solving adversarial training as a convex optimization problem. This fact is then exploited to establish similarities between adversarial training and parameter-shrinking methods and to study how the training might affect the robustness of the estimated models.  ( 2 min )

In real-world data labeling applications, annotators often provide imperfect labels. It is thus common to employ multiple annotators to label data with some overlap between their examples. We study active learning in such settings, aiming to train an accurate classifier by collecting a dataset with the fewest total annotations. Here we propose ActiveLab, a practical method to decide what to label next that works with any classifier model and can be used in pool-based batch active learning with one or multiple annotators. ActiveLab automatically estimates when it is more informative to re-label examples vs. labeling entirely new ones. This is a key aspect of producing high quality labels and trained models within a limited annotation budget. In experiments on image and tabular data, ActiveLab reliably trains more accurate classifiers with far fewer annotations than a wide variety of popular active learning methods.  ( 2 min )

We study deviation of U-statistics when samples have heavy-tailed distribution so the kernel of the U-statistic does not have bounded exponential moments at any positive point. We obtain an exponential upper bound for the tail of the U-statistics which clearly denotes two regions of tail decay, the first is a Gaussian decay and the second behaves like the tail of the kernel. For several common U-statistics, we also show the upper bound has the right rate of decay as well as sharp constants by obtaining rough logarithmic limits which in turn can be used to develop LDP for U-statistics. In spite of usual LDP results in the literature, processes we consider in this work have LDP speed slower than their sample size $n$.  ( 2 min )

Self-Supervised Learning (SSL) methods operate on unlabeled data to learn robust representations useful for downstream tasks. Most SSL methods rely on augmentations obtained by transforming the 2D image pixel map. These augmentations ignore the fact that biological vision takes place in an immersive three-dimensional, temporally contiguous environment, and that low-level biological vision relies heavily on depth cues. Using a signal provided by a pretrained state-of-the-art monocular RGB-to-depth model (the \emph{Depth Prediction Transformer}, Ranftl et al., 2021), we explore two distinct approaches to incorporating depth signals into the SSL framework. First, we evaluate contrastive learning using an RGB+depth input representation. Second, we use the depth signal to generate novel views from slightly different camera positions, thereby producing a 3D augmentation for contrastive learning. We evaluate these two approaches on three different SSL methods -- BYOL, SimSiam, and SwAV -- using ImageNette (10 class subset of ImageNet), ImageNet-100 and ImageNet-1k datasets. We find that both approaches to incorporating depth signals improve the robustness and generalization of the baseline SSL methods, though the first approach (with depth-channel concatenation) is superior. For instance, BYOL with the additional depth channel leads to an increase in downstream classification accuracy from 85.3\% to 88.0\% on ImageNette and 84.1\% to 87.0\% on ImageNet-C.  ( 2 min )

In fair classification, it is common to train a model, and to compare and correct subgroup-specific error rates for disparities. However, even if a model's classification decisions satisfy a fairness metric, it is not necessarily the case that these decisions are equally confident. This becomes clear if we measure variance: We can fix everything in the learning process except the subset of training data, train multiple models, measure (dis)agreement in predictions for each test example, and interpret disagreement to mean that the learning process is more unstable with respect to its classification decision. Empirically, some decisions can in fact be so unstable that they are effectively arbitrary. To reduce this arbitrariness, we formalize a notion of self-consistency of a learning process, develop an ensembling algorithm that provably increases self-consistency, and empirically demonstrate its utility to often improve both fairness and accuracy. Further, our evaluation reveals a startling observation: Applying ensembling to common fair classification benchmarks can significantly reduce subgroup error rate disparities, without employing common pre-, in-, or post-processing fairness interventions. Taken together, our results indicate that variance, particularly on small datasets, can muddle the reliability of conclusions about fairness. One solution is to develop larger benchmark tasks. To this end, we release a toolkit that makes the Home Mortgage Disclosure Act datasets easily usable for future research.  ( 2 min )

We study the causal bandit problem when the causal graph is unknown and develop an efficient algorithm for finding the parent node of the reward node using atomic interventions. We derive the exact equation for the expected number of interventions performed by the algorithm and show that under certain graphical conditions it could perform either logarithmically fast or, under more general assumptions, slower but still sublinearly in the number of variables. We formally show that our algorithm is optimal as it meets the universal lower bound we establish for any algorithm that performs atomic interventions. Finally, we extend our algorithm to the case when the reward node has multiple parents. Using this algorithm together with a standard algorithm from bandit literature leads to improved regret bounds.  ( 2 min )

Recently, flat-minima optimizers, which seek to find parameters in low-loss neighborhoods, have been shown to improve a neural network's generalization performance over stochastic and adaptive gradient-based optimizers. Two methods have received significant attention due to their scalability: 1. Stochastic Weight Averaging (SWA), and 2. Sharpness-Aware Minimization (SAM). However, there has been limited investigation into their properties and no systematic benchmarking of them across different domains. We fill this gap here by comparing the loss surfaces of the models trained with each method and through broad benchmarking across computer vision, natural language processing, and graph representation learning tasks. We discover several surprising findings from these results, which we hope will help researchers further improve deep learning optimizers, and practitioners identify the right optimizer for their problem.  ( 2 min )

The completeness axiom renders the explanation of a post-hoc XAI method only locally faithful to the model, i.e. for a single decision. For the trustworthy application of XAI, in particular for high-stake decisions, a more global model understanding is required. Recently, concept-based methods have been proposed, which are however not guaranteed to be bound to the actual model reasoning. To circumvent this problem, we propose Multi-dimensional Concept Discovery (MCD) as an extension of previous approaches that fulfills a completeness relation on the level of concepts. Our method starts from general linear subspaces as concepts and does neither require reinforcing concept interpretability nor re-training of model parts. We propose sparse subspace clustering to discover improved concepts and fully leverage the potential of multi-dimensional subspaces. MCD offers two complementary analysis tools for concepts in input space: (1) concept activation maps, that show where a concept is expressed within a sample, allowing for concept characterization through prototypical samples, and (2) concept relevance heatmaps, that decompose the model decision into concept contributions. Both tools together enable a detailed understanding of the model reasoning, which is guaranteed to relate to the model via a completeness relation. This paves the way towards more trustworthy concept-based XAI. We empirically demonstrate the superiority of MCD against more constrained concept definitions.  ( 2 min )

Convolutional neural networks (CNN) have been successful in machine learning applications. Their success relies on their ability to consider space invariant local features. We consider the use of CNN to fit nuisance models in semiparametric estimation of the average causal effect of a treatment. In this setting, nuisance models are functions of pre-treatment covariates that need to be controlled for. In an application where we want to estimate the effect of early retirement on a health outcome, we propose to use CNN to control for time-structured covariates. Thus, CNN is used when fitting nuisance models explaining the treatment and the outcome. These fits are then combined into an augmented inverse probability weighting estimator yielding efficient and uniformly valid inference. Theoretically, we contribute by providing rates of convergence for CNN equipped with the rectified linear unit activation function and compare it to an existing result for feedforward neural networks. We also show when those rates guarantee uniformly valid inference. A Monte Carlo study is provided where the performance of the proposed estimator is evaluated and compared with other strategies. Finally, we give results on a study of the effect of early retirement on hospitalization using data covering the whole Swedish population.  ( 2 min )

Creating fast and accurate force fields is a long-standing challenge in computational chemistry and materials science. Recently, several equivariant message passing neural networks (MPNNs) have been shown to outperform models built using other approaches in terms of accuracy. However, most MPNNs suffer from high computational cost and poor scalability. We propose that these limitations arise because MPNNs only pass two-body messages leading to a direct relationship between the number of layers and the expressivity of the network. In this work, we introduce MACE, a new equivariant MPNN model that uses higher body order messages. In particular, we show that using four-body messages reduces the required number of message passing iterations to just two, resulting in a fast and highly parallelizable model, reaching or exceeding state-of-the-art accuracy on the rMD17, 3BPA, and AcAc benchmark tasks. We also demonstrate that using higher order messages leads to an improved steepness of the learning curves.  ( 2 min )

In this study, we address the problem of optimizing multi-output black-box functions under uncertain environments. We formulate this problem as the estimation of the uncertain Pareto-frontier (PF) of a multi-output Bayesian surrogate model with two types of variables: design variables and environmental variables. We consider this problem within the context of Bayesian optimization (BO) under uncertain environments, where the design variables are controllable, whereas the environmental variables are assumed to be random and not controllable. The challenge of this problem is to robustly estimate the PF when the distribution of the environmental variables is unknown, that is, to estimate the PF when the environmental variables are generated from the worst possible distribution. We propose a method for solving the BO problem by appropriately incorporating the uncertainties of the environmental variables and their probability distribution. We demonstrate that the proposed method can find an arbitrarily accurate PF with high probability in a finite number of iterations. We also evaluate the performance of the proposed method through numerical experiments.  ( 2 min )

Likelihood-free inference involves inferring parameter values given observed data and a simulator model. The simulator is computer code which takes parameters, performs stochastic calculations, and outputs simulated data. In this work, we view the simulator as a function whose inputs are (1) the parameters and (2) a vector of pseudo-random draws. We attempt to infer all these inputs conditional on the observations. This is challenging as the resulting posterior can be high dimensional and involve strong dependence. We approximate the posterior using normalizing flows, a flexible parametric family of densities. Training data is generated by likelihood-free importance sampling with a large bandwidth value epsilon, which makes the target similar to the prior. The training data is "distilled" by using it to train an updated normalizing flow. The process is iterated, using the updated flow as the importance sampling proposal, and slowly reducing epsilon so the target becomes closer to the posterior. Unlike most other likelihood-free methods, we avoid the need to reduce data to low dimensional summary statistics, and hence can achieve more accurate results. We illustrate our method in two challenging examples, on queuing and epidemiology.  ( 2 min )

We consider the community recovery problem on a multilayer variant of the hypergraph stochastic block model (HSBM). Each layer is associated with an independent realization of a d-uniform HSBM on N vertices. Given the aggregated number of hyperedges incident to each pair of vertices, represented using a similarity matrix, the goal is to obtain a partition of the N vertices into disjoint communities. In this work, we investigate a semidefinite programming (SDP) approach and obtain information-theoretic conditions on the model parameters that guarantee exact recovery both in the assortative and the disassortative cases.  ( 2 min )

The main goal of machine learning (ML) is to study and improve mathematical models which can be trained with data provided by the environment to infer the future and to make decisions without necessarily having complete knowledge of all influencing elements. In this work, we describe how ML can be a powerful tool in studying climate modeling. Tree ring growth was used as an implementation in different aspects, for example, studying the history of buildings and environment. By growing and via the time, a new layer of wood to beneath its bark by the tree. After years of growing, time series can be applied via a sequence of tree ring widths. The purpose of this paper is to use ML algorithms and Extreme Value Theory in order to analyse a set of tree ring widths data from nine trees growing in Nottinghamshire. Initially, we start by exploring the data through a variety of descriptive statistical approaches. Transforming data is important at this stage to find out any problem in modelling algorithm. We then use algorithm tuning and ensemble methods to improve the k-nearest neighbors (KNN) algorithm. A comparison between the developed method in this study ad other methods are applied. Also, extreme value of the dataset will be more investigated. The results of the analysis study show that the ML algorithms in the Random Forest method would give accurate results in the analysis of tree ring widths data from nine trees growing in Nottinghamshire with the lowest Root Mean Square Error value. Also, we notice that as the assumed ARMA model parameters increased, the probability of selecting the true model also increased. In terms of the Extreme Value Theory, the Weibull distribution would be a good choice to model tree ring data.  ( 2 min )

Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as \emph{properness}, which asserts that Bayes' rule is optimal. Recent works have sought to \emph{learn losses} and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps $\mathbb{R}$ to $[0,1]$ to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between $\mathbb{R}^{C-1}$ and the projected probability simplex $\tilde{\Delta}^{C-1}$ by using monotonicity of gradients of convex functions. We present {\sc LegendreTron} as a novel and practical method that jointly learns \emph{proper canonical losses} and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a $t$-test at 99% significance on all datasets with greater than 10 classes.  ( 2 min )

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P-Ew water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules, and constitute an important step towards the modeling of distributions of many interacting molecules.  ( 2 min )

Likelihood-free inference methods typically make use of a distance between simulated and real data. A common example is the maximum mean discrepancy (MMD), which has previously been used for approximate Bayesian computation, minimum distance estimation, generalised Bayesian inference, and within the nonparametric learning framework. The MMD is commonly estimated at a root-$m$ rate, where $m$ is the number of simulated samples. This can lead to significant computational challenges since a large $m$ is required to obtain an accurate estimate, which is crucial for parameter estimation. In this paper, we propose a novel estimator for the MMD with significantly improved sample complexity. The estimator is particularly well suited for computationally expensive smooth simulators with low- to mid-dimensional inputs. This claim is supported through both theoretical results and an extensive simulation study on benchmark simulators.  ( 2 min )

We study how training molds the Riemannian geometry induced by neural network feature maps. At infinite width, neural networks with random parameters induce highly symmetric metrics on input space. Feature learning in networks trained to perform classification tasks magnifies local areas along decision boundaries. These changes are consistent with previously proposed geometric approaches for hand-tuning of kernel methods to improve generalization.  ( 2 min )

Graphs are a natural representation of brain activity derived from functional magnetic imaging (fMRI) data. It is well known that clusters of anatomical brain regions, known as functional connectivity networks (FCNs), encode temporal relationships which can serve as useful biomarkers for understanding brain function and dysfunction. Previous works, however, ignore the temporal dynamics of the brain and focus on static graphs. In this paper, we propose a dynamic brain graph deep generative model (DBGDGM) which simultaneously clusters brain regions into temporally evolving communities and learns dynamic unsupervised node embeddings. Specifically, DBGDGM represents brain graph nodes as embeddings sampled from a distribution over communities that evolve over time. We parameterise this community distribution using neural networks that learn from subject and node embeddings as well as past community assignments. Experiments demonstrate DBGDGM outperforms baselines in graph generation, dynamic link prediction, and is comparable for graph classification. Finally, an analysis of the learnt community distributions reveals overlap with known FCNs reported in neuroscience literature.  ( 2 min )

Over the past few decades, a number of methods have been proposed for causal effect estimation, yet few have been demonstrated to be effective in handling data with complex structures, such as images. To fill this gap, we propose a Causal Multi-task Deep Ensemble (CMDE) framework to learn both shared and group-specific information from the study population and prove its equivalence to a multi-task Gaussian process (GP) with coregionalization kernel a priori. Compared to multi-task GP, CMDE efficiently handles high-dimensional and multi-modal covariates and provides pointwise uncertainty estimates of causal effects. We evaluate our method across various types of datasets and tasks and find that CMDE outperforms state-of-the-art methods on a majority of these tasks.  ( 2 min )

Under losses which are potentially heavy-tailed, we consider the task of minimizing sums of the loss mean and standard deviation, without trying to accurately estimate the variance. By modifying a technique for variance-free robust mean estimation to fit our problem setting, we derive a simple learning procedure which can be easily combined with standard gradient-based solvers to be used in traditional machine learning workflows. Empirically, we verify that our proposed approach, despite its simplicity, performs as well or better than even the best-performing candidates derived from alternative criteria such as CVaR or DRO risks on a variety of datasets.  ( 2 min )

For some context, I plan on eventually majoring in neuroscience. I am enrolling in a local state college soon. I want to get my associates out of the way, and then transferring to a college with a good neuroscience program. It seems like neural networks, are an exciting avenue for research. There's a lot more neuroscience related research being published using neural networks. What courses would you guys recommend me enrolling in? I feel like the obvious one is software development, but maybe there are some others as well. I'd appreciate any insight, thanks! submitted by /u/daddydilly694-20 [link] [comments]  ( 41 min )

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Hey All! I wrote this story and would appreciate your support on my channel and reviews. You can also give me stories for the channel. Thank You for your time :) https://youtu.be/-aM7cSbFFFY The sky was a deep shade of black as the group of friends made their way to the cabin, the only light coming from the beams of their headlights piercing through the heavy rain. The cabin, located deep in the woods, was said to be haunted, but the friends brushed off the rumors as nothing more than tales meant to scare. As they settled in for the night, they laughed and joked, telling ghost stories and watching horror movies. They passed jokes about how they would run if they saw a ghost, unaware of the danger lurking outside. But their laughter was cut short when Dave stumbled across a letter in the…  ( 46 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 40 min )

submitted by /u/pmz [link] [comments]  ( 40 min )

I'v been thinking a lot about Marshall McLuhan and his 4 laws of media. Specifically, the one that states that all new forms of media cause something to be retrieved from the past. What will ChatGPT and AI revive and retrieve? I put some more thoughts in my blog. Would love to hear your thoughts on it. https://bobhutchins.substack.com/p/what-media-format-will-chatgpt-and submitted by /u/Interesting_Status64 [link] [comments]  ( 41 min )

I'm putting together a trivia night, and one idea I have for a round is "The Pen*s Game" where I replace a word from a famous movie quote with the word "pen*s". I could simply replace it with my own voice, but I don't think it would sound as good/be as funny, so I think it would be amazing to instead use a tool (presumably AI-powered) to achieve this. Is there a reasonably user-friendly way of doing this?Ideally it would be some magical tool that has a nice GUI and celebrity voices already trained, though I doubt this exists... I am well-versed in Python, and am always looking to learn new tools, but I don't have the time to scrape voice data for each actor and train a model (not that I even know where I'd start on that front). As an example, imagine this clip from Shrek except "parfait" is replaced with "pen*s". https://youtu.be/-FtCTW2rVFM?t=86 I don't know this threads rules, so I censor "pen*s" just in case. Any suggestions would be appreciated! Thank you. submitted by /u/wendeborn8 [link] [comments]  ( 41 min )

Hi everyone ! I had this weird idea lately, with the rise of AI to the mainstream, to implement some kind of "Simulator", where one could input a webcam picture, some basic info through a form, & get an alternate small narrated video narrated of one's future. I'm looking for suggestions for open source AI APIs I could use for it. My idea, very simplistically put, is to combine them through input, outputs and some basic logic manipulation. I'm also looking for recommendations for the stack I could use. I've worked with NodeJS and Java w/ Spring Boot on backend, & Angular for frontend. Any recommendations based in the APIs? submitted by /u/WhereIsBryan [link] [comments]  ( 41 min )

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Hi. I tried to voice chat with Kuki on Telegram but she still doesn't have this ability. Replika has voice calls. Do you know other AI apps that can already speak using voice? submitted by /u/Trainer_Red99 [link] [comments]  ( 40 min )

submitted by /u/robbinpetertopaypaul [link] [comments]  ( 41 min )

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submitted by /u/CyborgWriter [link] [comments]  ( 41 min )

1D: MusicLM, VALL-E 2D: Stable Diffusion, DALL-E, MidJourney 3D (or 2+1D): Imagen-video, Phenaki 3D: Magic3D, DreamFusion, Point-E 4D (or 3+1D): Make-A-Video-3D [Searchcolab] What’s next? 🤔 https://reddit.com/link/10p6vw9/video/gqbnrsaxh7fa1/player submitted by /u/Maleficent_Suit1591 [link] [comments]  ( 41 min )

Similar to chatgpt, etc. but it doesn't have all the knowledge, but just from a very special field. E.g. if you would like to create an AI for kids, you feed 1000 kids books into it, and it would respond exclusively in a child-friendly or goofy way. It's simply not possible that it responds in any other way, because it doesn't know about the rest of the world. submitted by /u/EndlessSenseless [link] [comments]  ( 41 min )

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https://ainewsbase.com/google-musiclm-copyright-issues-not-releasing/ The samples they do show might just sound weird because of the stored file or whatever but the sound definitely sounds kinda weird. submitted by /u/SPEEDYFISHY2000 [link] [comments]  ( 40 min )

I spend about 5 hours a day reading about AI and the news is a lot to keep up with - however there's a lot of big picture AI information that is a good foundation for understanding the future implications of AI. I think these three books offer a good variety of perspective from the philosophical, business, and strategy side of AI. Philosophy: Superintelligence by Nick Bostrom - This S-tier book explores the potential risks and benefits of creating artificial intelligence beyond human levels. The book argues that if the development of superintelligence proceeds rapidly, it could pose an existential threat to humanity. Bostrom paints an incredibly articulate perspective on why we must consider the possibility of creating AI in a way that aligns with human values, and that we must prepare …  ( 44 min )

submitted by /u/Mental_Character7367 [link] [comments]  ( 41 min )

I suggest the need for a new subreddit, where people can announce their creations. You know: "I've created an AI to make s'mores..." "I've created an AI to sort my comic books..." "I've created an AI to find me a girlfriend..." ...ad nauseum. submitted by /u/PredictorX1 [link] [comments]  ( 40 min )

Hello guys, Have you found any application of AI in the construction industry (notwithstanding the design/modelization)? I've been following the industry for ages and I believe there is so much to be done particularly with AI as it can manage dependancies.. I've quite a few ideas too; get in touch if you are interested to discuss over this :) submitted by /u/MexsEU [link] [comments]  ( 41 min )

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Doing a survey of object detection papers with plausible application to pose-estimation tasks. Came across the paper "You Only Learn One Representation" and, while the theory seems interesting, I want to hear people's opinions before doing a deep dive into the theory. submitted by /u/answersareallyouneed [link] [comments]  ( 42 min )

https://peltarion.com/blog/data-science/towards-a-token-free-future-in-nlp submitted by /u/EducationalCicada [link] [comments]  ( 42 min )

I’m an ML Engineer at Hive AI and I’ve been working on a ChatGPT Detector. Here is a free demo we have up: https://hivemoderation.com/ai-generated-content-detection From our benchmarks it’s significantly better than similar solutions like GPTZero and OpenAI’s GPT2 Output Detector. On our internal datasets, we’re seeing balanced accuracies of >99% for our own model compared to around 60% for GPTZero and 84% for OpenAI’s GPT2 Detector. Feel free to try it out and let us know if you have any feedback! submitted by /u/qthai912 [link] [comments]  ( 56 min )

In order to improve my talking skills, I am doing a little series on how to setup Stable Diffusion on Paperspace, and I am astounded how much time it takes to do the audio editing. Well, part of the reason is that I've only been doing this for 3 days and my process is very inefficient, but it feels that in the current time, neural nets should be able to do things like remove uhms, lip smacking and breath intakes. I've looked around, and this post from 9 years ago says the only choice is to edit it by hand. Is that still true? submitted by /u/abstractcontrol [link] [comments]  ( 43 min )

I've been working in the speech and voice space for a while now and am now building out some tooling in the space to make it easier for researchers/engineers/developers to build speech processing systems and features; I'd love to hear what people in ML struggle with when you're trying to build or work with speech processing for your projects/products (beyond speech-to-text APIs) submitted by /u/jiamengial [link] [comments]  ( 47 min )

I am a researcher at a US university and have a budget of 25k to build a PC for training various ML algorithms (e.g. DRL, neuromorphic computing, VAE, etc). I'm trying to decide between going for prebuilds (like https://lambdalabs.com/gpu-workstations/vector) or building with consumer cards like 4090s. Any advice on which is the most bang for the price? Im not sure how much Im giving up by going for consumer 24g cards vs a6000, 6000 ada but prebuild prices go up quick. Warrantee vs building it myself isn't an issue submitted by /u/seanrescs [link] [comments]  ( 44 min )

Paper: https://arxiv.org/abs/2212.10561 Github: https://github.com/ezelikman/parsel Twitter: https://twitter.com/ericzelikman/status/1618426056163356675?s=20 Website: https://zelikman.me/parselpaper/ Code Generation on APPS Leaderboard: https://paperswithcode.com/sota/code-generation-on-apps Abstract: Despite recent success in large language model (LLM) reasoning, LLMs struggle with hierarchical multi-step reasoning tasks like generating complex programs. For these tasks, humans often start with a high-level algorithmic design and implement each part gradually. We introduce Parsel, a framework enabling automatic implementation and validation of complex algorithms with code LLMs, taking hierarchical function descriptions in natural language as input. We show that Parsel can be …  ( 45 min )

Hi guys. It's been some time since I started developing my Keras models, but now is the first time I am trying to push it to production. My Keras model looks like this: model = Sequential() model.add(Bidirectional(LSTM(256, return_sequences=True))) model.add(Bidirectional(LSTM(256, return_sequences=True))) model.add(TimeDistributed(Dense(1, activation='sigmoid'))) model.compile(loss='binary_crossentropy', optimizer='adam', metrics=['accuracy']) My problem is I need to run through about 25 of these for every written sentence. There is going to be an online editor, where users can paste text for my analysis. That means up to about 300 words or about 20 sentences at once. With the current time to run each network (about 0.2s), that means 25 * 0,2 * 20 or about 100s per user input. I am going for 30 seconds at most with potentially dozens of users at once. Ideally on a Raspberry Pi 4. The internet is surely gonna back me up I thought to myself and started googling. If only I know what kind of a rabbit hole I was about to fall into. First I converted my Keras model into a TensorFlow frozen graph model. 10x time improvement on CPU, but still at 0.2s on average. Another thing I think may boost the performance is retraining the models for variable input shape (currently I always feed in 50 values). With the average sentence size of 16 words this may, from what I understand, lead to a 3 times boost? My question is: now what? What can I do to make it faster? Is it even possible to run it on a Raspberry Pi 4 and get reasonable response times? If not, what is my best option on a tight budget? submitted by /u/ProfessionalOverall8 [link] [comments]  ( 45 min )

From the given link!, I gather that it is a large-scale Transformer trained to use digital tools like a web browser. Right now, it’s hooked up to a Chrome extension which allows it to observe what’s happening in the browser and take certain actions, like clicking, typing, and scrolling, etc. I am interested in knowing the broad steps involved in building something like this. submitted by /u/smred123 [link] [comments]  ( 43 min )

The general consensus seems to be that large language models, and ChatGPT in particular, have a problem with accuracy and hallucination. As compared to what, is often unclear, but let's say as compared to other NLP methods of question answering, language understanding or as compared to Google Search. I haven't really been able to find any reliable sources documenting this accuracy problem, though. The SuperGLUE benchmark has GPT-3 ranked #24, not terrible, but outperformed by old models like T5, which seems odd. GLUE nothing. SQUAD nothing. So, I'm curious: Is there any benchmark or metric reflecting the seeming step-function made by ChatGPT that's got everyone so excited? I definitely feel like there's a difference between gpt-3 and chatGPT, but is it measurable or is it just vibes? Is there any metric showing ChatGPT's problem with fact hallucination and accuracy? Am I off the mark here looking at question-answering benchmarks as an assessment of LLMs? Thanks submitted by /u/mettle [link] [comments]  ( 46 min )

Has anyone come across studies on GPT3 text-davinci-003's zero/few-shot performance over various NLP benchmarks and how they compare to current SoTA? E.g GLUE, SuperGLUE and over more classic ones like CoNLL 2003 NER. I thought it would be pretty interesting to see how far zero/few-shot learning with LLM has progressed with RLHF and instruction tuning. Am surprised that nobody has done such a benchmark yet. submitted by /u/gamerx88 [link] [comments]  ( 42 min )

Hi all! Given X ∈ ℝ Nx, Y ∈ ℝ Ny, β ∈ ℝ+, so W = YXT(XXT+βI)-1 (with the Moore–Penrose pseudoinverse) where A = YXT and B = XXT+βI. If we consider an arbitrary number of indices/units < Nx, and so we consider only some columns of matrix A and some columns and rows (crosses) of B. The rest of A and B are zeros. The approach above of sparsify A and B will break the ridge regression solution when W=AB-1? If yes, there are ways to avoid it? Many thanks! submitted by /u/antodima [link] [comments]  ( 43 min )

I'm looking for help/feedback with this paper. Please let me know if the method is interesting and if there's ways to improve it! https://arxiv.org/abs/2301.10115 Abstract: Gradient boosted decision trees are some of the most popular algorithms in applied machine learning. They are a flexible and powerful tool that can robustly fit to any tabular dataset in a scalable and computationally efficient way. One of the most critical parameters to tune when fitting these models are the various penalty terms used to distinguish signal from noise in the current model. These penalties are effective in practice, but are lacking in robust theoretical justifications. In this paper we develop and present a novel theoretically justified hypothesis test of split quality for gradient boosted tree ensembles and demonstrate that using this method instead of the common penalty terms leads to a significant reduction in out of sample loss. Additionally, this method provides a theoretically well-justified stopping condition for the tree growing algorithm. We also present several innovative extensions to the method, opening the door for a wide variety of novel tree pruning algorithms. submitted by /u/asi_dm [link] [comments]  ( 43 min )

https://github.com/tysam-code/hlb-CIFAR10 submitted by /u/tysam_and_co [link] [comments]  ( 53 min )

The global mobile app development revenue is $526 billion, making it one of the most flourishing industries worldwide. Android controls 73% of the market share. So, if you have plans to build an Android app, there’s no better time. However, to ensure your Android app stands out, you must keep an eye on the latest… Read More »Top Android App Development Trends in 2023 The post Top Android App Development Trends in 2023 appeared first on Data Science Central.  ( 22 min )

During the 1970s, Ethernet pioneer and 3Com Internet equipment company founder Bob Metcalfe was working on something called the “Data Reconfiguration Service” for the early Internet. “It was an effort to write a special purpose programming language to convert data formats, Metcalfe said during a 2021 OriginTrail.io panel session. “And the goal was so that… Read More »Enabling contextual computing in today’s enterprise information fabrics The post Enabling contextual computing in today’s enterprise information fabrics appeared first on Data Science Central.  ( 21 min )

Amazon SageMaker provides a suite of built-in algorithms, pre-trained models, and pre-built solution templates to help data scientists and machine learning (ML) practitioners get started on training and deploying ML models quickly. You can use these algorithms and models for both supervised and unsupervised learning. They can process various types of input data, including tabular, […]  ( 12 min )

Amazon Forecast is a fully managed service that uses machine learning (ML) to generate highly accurate forecasts, without requiring any prior ML experience. Forecast is applicable in a wide variety of use cases, including estimating supply and demand for inventory management, travel demand forecasting, workforce planning, and computing cloud infrastructure usage. You can use Forecast […]  ( 10 min )

I’m not sure whether automatic text completion on a mobile device is a net good. It sometimes saves a few taps, but it seems like it’s at least as likely to cause extra work. Although I’m ambivalent about autocomplete on my phone, I like it in my text editor. The difference is that in my […] Good autocomplete first appeared on John D. Cook.  ( 6 min )

Does anyone know which library has the best support for recurrent RL algorithms? It seems like many implement recurrent PPO and maybe one other recurrent algorithm and that's it. Most implementations treat recurrence as an afterthought, making it buggy and hard to extend. I'd like a library with first-class recurrent support for: DQN/Rainbow SAC PPO etc. Is anyone familiar with such a library? submitted by /u/smorad [link] [comments]  ( 42 min )

Gen-Meta is a learning-to-learn method for evolutionary illumination that is competitive against SotA methods in Nevergrad, with a much superior scalability for large-scale optimization. The key to out-of-sample robustness in portfolio optimization is quality-diversity optimization, where one aims to obtain multiple diverse solutions of high quality, rather than one. Generative meta-learning is the only portfolio optimization method that performs QD optimization to obtain a robust ensemble portfolio consisting of several de-correlated sub-portfolios. In the below image, the red line is the index to be tracked, and the blue line is the sparse portfolio ensembled from a thousand behaviorally-diverse sub-portfolios co-optimized (other lines). ​ Red Line: Tracked Index, Blue Line: Sparse Ensemble, Others: Diverse Subportfolios In Gen-Meta portfolio optimization, a Monte-Carlo optimization is performed over those portfolio candidates to reward each individual separately in randomly selected historical periods. To further optimize the portfolio robustness, the portfolio weights of the candidates are heavily corrupted first by adding noise and then dropping out the vast majority of their weights. I previously open-sourced the application of Gen-Meta in sparse index-tracking. Hence, I invite you to do your ablation study to see how each technique affects the out-of-sample robustness. The following repository includes comments on those critical techniques performed to obtain a robust ensemble from behaviorally-diverse high-quality portfolios co-optimized with Gen-Meta. The codes for Gen-Meta in sparse index-tracking The comparison in-between Gen-Meta & Nevergrad submitted by /u/k_yuksel [link] [comments]  ( 42 min )

submitted by /u/DragonLord9 [link] [comments]  ( 41 min )